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Crystal structure of (E)-4-{2-[4-(allyloxy)phenyl]diazenyl}benzoic acid
Rahman M.L., Mohd. Yusoff M., Ismail J., Kwong H.C., Quah C.K.
International Union of Crystallography (IUCr)
Acta Crystallographica Section E Structure Reports Online, 2014, цитирований: 0,
open access Open access ,
doi.org, Abstract
The title compound, C16H14N2O3, has anEconformation about the azobenzene [—N=N– = 1.2481 (16) Å] linkage. The benzene rings are almost coplanar [dihedral angle = 1.36 (7)°]. The O atoms of the carboxylic acid group are disordered over two sets of sites and were refined with an occupancy ratio of 0.5:0.5. The two disordered components of the carboxylic acid group make dihedral angles of 1.5 (14) and 3.8 (12)° with the benzene ring to which they are attached. In the crystal, molecules are linkedviapairs of O—H...O hydrogen bonds, forming inversion dimers. The dimers are connectedviaC—H...O hydrogen bonds, forming ribbons lying parallel to [120]. These ribbons are linkedviaC—H...π interactions, forming slabs parallel to (001).
Crystal structure of 2-{[1-(2-methyl-5-nitro-1H-imidazol-1-yl)propan-2-yloxy]carbonyl}benzoic acid
Shahid H.A., Jahangir S., Shah S.A., Zaki H.M., Naz H.
International Union of Crystallography (IUCr)
Acta Crystallographica Section E Structure Reports Online, 2014, цитирований: 0,
open access Open access ,
doi.org, Abstract
In the title compound, C15H15N3O6, the dihedral angle between the planes of the benzene and imidazole rings is 34.93 (10)°. An intramolecular C—H...O hydrogen bond is observed. In the crystal, O—H...N hydrogen bonds link the molecules into chains parallel to thecaxis.
Crystal structure of 2-(adamantan-1-yl)-5-(4-bromophenyl)-1,3,4-oxadiazole
Alzoman N.Z., El-Emam A.A., Ghabbour H.A., Chidan Kumar C.S., Fun H.
International Union of Crystallography (IUCr)
Acta Crystallographica Section E Structure Reports Online, 2014, цитирований: 3,
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doi.org, Abstract
In the title molecule, C18H19BrN2O, the benzene ring is inclined to the oxadiazole ring by 10.44 (8)°. In the crystal, C—H...π interactions link the molecules in a head-to-tail fashion, forming chains extending along thec-axis direction. The chains are further connected by π–π stacking interactions, with centroid–centroid distances of 3.6385 (7) Å, forming layers parallel to thebcplane.
Crystal structure of 2-{[2-(3-phenylallylidene)hydrazin-1-yl]thiocarbonylsulfanylmethyl}pyridinium chloride
Low M.L., Ravoof T.B., Tahir M.I., Crouse K.A., Tiekink E.R.
International Union of Crystallography (IUCr)
Acta Crystallographica Section E Structure Reports Online, 2014, цитирований: 2,
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doi.org, Abstract
In the title salt of anS-substituted dithiocarbazate, C16H16N3S2+·Cl−, the dihedral angles between the almost planar (r.m.s deviation = 0.005 Å) central CN2S2residue and the terminal pyridinium and phenyl rings are 80.09 (11) and 3.82 (11)°, respectively, indicating the cation has an L-shape; the amine H and thione S atoms aresyn. The conformation about each of the imine [1.376 (3) Å] and ethene [1.333 (4) Å] bonds isE. The shortened C—C bond [1.444 (4) Å] linking the double bonds is consistent with conjugation in this part of the molecule. In the crystal, supramolecular layers with a jagged topology are formed by charged-assisted amine-H...Cl−and pyridinium-N+—H...Cl−hydrogen bonds. The layers stack along theaaxis with no specific directional interactions between them.
Crystal structure of 6-chloro-5-isopropylpyrimidine-2,4(1H,3H)-dione
Haress N.G., Ghabbour H.A., El-Emam A.A., Chidan Kumar C.S., Fun H.
International Union of Crystallography (IUCr)
Acta Crystallographica Section E Structure Reports Online, 2014, цитирований: 0,
open access Open access ,
doi.org, Abstract
In the molecule of the title compound, C7H9ClN2O2, the conformation is determined by intramolecular C—H...O and C—H...Cl hydrogen bonds, which generateS(6) andS(5) ring motifs. The isopropyl group is almost perpendicular to the pyrimidine ring with torsion angles of −70.8 (3) and 56.0 (3)°. In the crystal, two inversion-related molecules are linkedviaa pair of N—H...O hydrogen bonds intoR22(8) dimers; these dimers are connected into chains extending along thebcplaneviaan additional N—H...O hydrogen bond and weaker C—H...O hydrogen bonds. The crystal structure is further stabilized by a weak π–π interaction [3.6465 (10) Å] between adjacent pyrimidine-dione rings arranged in a head-to-tail fashion, producing a three-dimensional network.
Crystal structure of bromidobis(naphthalen-1-yl)antimony(III)
Shawkataly O.B., Hussien Abdelnasir H.M., Rosli M.M.
International Union of Crystallography (IUCr)
Acta Crystallographica Section E Structure Reports Online, 2014, цитирований: 1,
open access Open access ,
doi.org, Abstract
In the title compound, [SbBr(C10H7)2], the SbIIIatom has a distorted trigonal–pyramidal coordination geometry and the planes of the two naphthalene ring systems make a dihedral angle of 80.26 (18)°. An intramolecular C—H...Br hydrogen bond forms anS(5) ring motif. In the crystal, weak C—H...Br interactions link the molecules into helical chains along theb-axis direction.
Crystal structure of bis{2-[(E)-(4-fluorobenzyl)iminomethyl]phenolato-κ2N,O}nickel(II)
Tajuddin A.M., Bahron H., Hanafiah R.M., Ibrahim N., Fun H., Chantrapromma S.
International Union of Crystallography (IUCr)
Acta Crystallographica Section E Structure Reports Online, 2014, цитирований: 2,
open access Open access ,
doi.org, Abstract
The asymmetric unit of the title complex, [Ni(C14H11FNO)2], contains one-half of the molecule with the NiIIcation lying on an inversion centre coordinated by a bidentate Schiff base anion. The cationic NiIIcenter is in a distorted square-planar coordination environment chelated by the imine N and phenolate O donor atoms of the two Schiff base ligands. The N and O donor atoms of the two ligands are mutuallytranswith Ni—N and Ni—O bond lengths of 1.9242 (10) and 1.8336 (9) Å, respectively. The fluorophenyl ring is almost orthogonal to the coordination plane and makes a dihedral angle of 82.98 (7)° with the phenolate ring. In the crystal, molecules are linked into screw chains by weak C—H...F hydrogen bonds. Additional C—H...π contacts arrange the molecules into sheets parallel to theacplane.
Crystal structure of ethyl 2-[(4-bromophenyl)amino]-3,4-dimethylpent-3-enoate
Zukerman-Schpector J., Caracelli I., Stefani H.A., Khan A.N., Tiekink E.R.
International Union of Crystallography (IUCr)
Acta Crystallographica Section E Structure Reports Online, 2014, цитирований: 0,
open access Open access ,
doi.org, Abstract
In the title compound, C15H20BrNO2, there are two independent molecules (AandB) comprising the asymmetric unit and these adopt very similar conformations. InA, the dihedral angle between the CO2and MeC=CMe2groups is 80.7 (3)°, and these make dihedral angles of 3.5 (3) and 84.09 (16)°, respectively, with the bromobenzene ring. The equivalent dihedral angles for moleculeBare 78.4 (3), 2.1 (3) and 78.37 (12)°, respectively. The most prominent interactions in the crystal packing are amine-N—H...O(carbonyl) hydrogen bonds between the two independent molecules, resulting in non-centrosymmetric ten-membered {...OC2NH}2synthons. Statistical disorder is noted for each of the terminal methyl groups of the ethyl residues.
Crystal structure of 4-cyclohexyl-1-(propan-2-ylidene)thiosemicarbazide
Yamin B.M., Rodis M.L., Chee D.N.
International Union of Crystallography (IUCr)
Acta Crystallographica Section E Structure Reports Online, 2014, цитирований: 1,
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doi.org, Abstract
In the title compound, C10H19N3S, the cyclohexyl group adopts a chair conformation and adopts a position approximatelysynto the thione S atom. The CN2S thiourea moiety makes dihedral angle of 13.13 (10)° with the propan-2-ylideneamino group. An intramolecular N—H...N hydrogen bond is noted. In the crystal, inversion dimers linked by pairs of N—H...S hydrogen bonds generateR22(8) loops.
Crystal structure of (E)-N′-benzylidene-2-methoxybenzohydrazide
Taha M., Baharudin M.S., Zaki H.M., Yamin B.M., Naz H.
International Union of Crystallography (IUCr)
Acta Crystallographica Section E Structure Reports Online, 2014, цитирований: 0,
open access Open access ,
doi.org, Abstract
In the title benzoylhydrazide derivative, C15H14N2O2, the dihedral angle between the planes of the two phenyl rings is 12.56 (9)°. The azomethine double bond adopts anEconfiguration stabilized by an N—H...O hydrogen bond. In the crystal, the components are linked by C—H...O interactions to form chains along thebaxis.
Crystal structure of (3E)-3-(2,4-dinitrophenoxymethyl)-4-phenylbut-3-en-2-one
Caracelli I., Maganhi S.H., Moran P.J., Paula B.R., Delling F.N., Tiekink E.R.
International Union of Crystallography (IUCr)
Acta Crystallographica Section E Structure Reports Online, 2014, цитирований: 2,
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doi.org, Abstract
In the title compound, C17H14N2O6, the conformation about the C=C double bond [1.345 (2) Å] isE, with the ketone moiety almost coplanar [C—C—C—C torsion angle = 9.5 (2)°] along with the phenyl ring [C—C—C—C = 5.9 (2)°]. The aromatic rings are almost perpendicular to each other [dihedral angle = 86.66 (7)°]. The 4-nitro moiety is approximately coplanar with the benzene ring to which it is attached [O—N—C—C = 4.2 (2)°], whereas the one in theorthoposition is twisted [O—N—C—C = 138.28 (13)°]. The molecules associateviaC—H...O interactions, involving both O atoms from the 2-nitro group, to form a helical supramolecular chain along [010]. Nitro–nitro N...O interactions [2.8461 (19) Å] connect the chains into layers that stack along [001].
Crystal structure of (3E)-3-[(4-nitrophenoxy)methyl]-4-phenylbut-3-en-2-one
Zukerman-Schpector J., Maganhi S.H., Moran P.J., Paula B.R., Nucci P.R., Tiekink E.R.
International Union of Crystallography (IUCr)
Acta Crystallographica Section E Structure Reports Online, 2014, цитирований: 2,
open access Open access ,
doi.org, Abstract
In the title compound, C17H15NO4, the conformation about the C=C double bond [1.348 (2) Å] isEwith the ketone group almost co-planar [C—C—C—C torsion angle = 7.2 (2)°] but the phenyl group twisted away [C—C—C—C = 160.93 (17)°]. The terminal aromatic rings are almost perpendicular to each other [dihedral angle = 81.61 (9)°] giving the molecule an overall U-shape. The crystal packing feature benzene-C—H...O(ketone) contacts that lead to supramolecular helical chains along thebaxis. These are connected by π–π interactions between benzene and phenyl rings [inter-centroid distance = 3.6648 (14) Å], resulting in the formation of a supramolecular layer in thebcplane.
Crystal structure of 4-fluoro-N-[2-(4-fluorobenzoyl)hydrazine-1-carbonothioyl]benzamide
Firdausiah S., Salleh Huddin A.A., Hasbullah S.A., Yamin B.M., Yusoff S.F.
International Union of Crystallography (IUCr)
Acta Crystallographica Section E Structure Reports Online, 2014, цитирований: 3,
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doi.org, Abstract
In the title compound, C15H11F2N3O2S, the dihedral angle between the fluorobenzene rings is 88.43 (10)° and that between the central semithiocarbazide grouping is 47.00 (11)°. The dihedral angle between the amide group and attached fluorobenzene ring is 50.52 (11)°; the equivalent angle between the carbonylthioamide group and its attached ring is 12.98 (10)°. The major twists in the molecule occur about the C—N—N—C bonds [torsion angle = −138.7 (2)°] and the Car—Car—C—N (ar = aromatic) bonds [−132.0 (2)°]. An intramolecular N—H...O hydrogen bond occurs, which generates anS(6) ring. In the crystal, the molecules are linked by N—H...O and N—H...S hydrogen bonds, generating (001) sheets. Weak C—H...O and C—H...F interactions are also observed.
4-Methyl-N-[2-(pyridin-2-yl)ethylcarbamothioyl]benzamide
Adam F., Ameram N., Eltayeb N.E.
International Union of Crystallography (IUCr)
Acta Crystallographica Section E Structure Reports Online, 2014, цитирований: 4,
open access Open access ,
doi.org, Abstract
In the title compound, C16H17N3OS, the dihedral angle between the planes of the benzene and pyridine rings is 71.33 (15)°. An intramolecular N—H...O hydrogen bond is present. In the crystal, weak aromatic C—H...O hydrogen bonds link the molecules into chains extending alonga.
Crystal structure of bis{2-[(E)-(4-methoxylbenzyl)iminomethyl]phenolato-κ2N,O1}nickel(II)
Bahron H., Tajuddin A.M., Ibrahim W.N., Fun H., Chantrapromma S.
International Union of Crystallography (IUCr)
Acta Crystallographica Section E Structure Reports Online, 2014, цитирований: 5,
open access Open access ,
doi.org, Abstract
The asymmetric unit of the title compound, [Ni(C15H14NO2)2], comprises an NiIIcation, lying on an inversion centre, and a Schiff base anion that acts as a bidentate ligand. The NiIIcation is in a square-planar coordination environment binding to the imine N and phenolate O atoms of the two Schiff base ligands. The N- and O-donor atoms of the two ligands are mutuallytrans, with Ni—N and Ni—O bond lengths of 1.9191 (11) and 1.8407 (9) Å, respectively. The plane of the methoxybenzene ring makes a dihedral angle of 84.92 (6)° with that of the phenolate ring. In the crystal, molecules are linked into screw chains by weak C—H...O hydrogen bonds. Additional C—H...O hydrogen bonds, together with C—H...π contacts, arrange the molecules into sheets parallel to theacplane.
Crystal structure of a new monoclinic polymorph ofN-(4-methylphenyl)-3-nitropyridin-2-amine
Aznan A.M., Abdullah Z., Lee V.S., Tiekink E.R.
International Union of Crystallography (IUCr)
Acta Crystallographica Section E Structure Reports Online, 2014, цитирований: 0,
open access Open access ,
doi.org, Abstract
The title compound, C12H11N3O2, is a second monoclinic polymorph (P21, withZ′ = 4) of the previously reported monoclinic (P21/c, withZ′ = 2) form [Akhmad Aznanet al.(2010).Acta Cryst.E66, o2400]. Four independent molecules comprise the asymmetric unit, which have the common features of asyndisposition of the pyridine N atom and the toluene ring, and an intramolecular amine–nitro N—H...O hydrogen bond. The differences between molecules relate to the dihedral angles between the rings which range from 2.92 (19) to 26.24 (19)°. The geometry-optimized structure [B3LYP level of theory and 6–311 g+(d,p) basis set] has the same features except that the entire molecule is planar. In the crystal, the three-dimensional architecture is consolidated by a combination of C—H...O, C—H...π, nitro-N—O...π and π–π interactions [inter-centroid distances = 3.649 (2)–3.916 (2) Å].
(Benzyldiphenylphosphane-1κP)[μ-bis(diphenylphosphanyl)methane-2:3κ2P:P′]nonacarbonyl-1κ3C,2κ3C,3κ3C-triangulo-triruthenium(0)
Shawkataly O.B., Khan I.A., Sirat S.S., Rosli M.M.
International Union of Crystallography (IUCr)
Acta Crystallographica Section E Structure Reports Online, 2014, цитирований: 0,
open access Open access ,
doi.org, Abstract
The asymmetric unit of the title compound, [Ru3(C19H17P)(C25H22P2)(CO)9], consists of two independent molecules. The bis(diphenylphosphanyl)methane ligand bridges an Ru—Ru bond and the benzyldiphenylphosphane ligand binds to the third Ru atom. The Ru—Ru bondcisto the benzyldiphenylphosphane ligand is the longest of the three Ru—Ru bonds in both molecules. In the crystal, molecules are linked by C—H...O hydrogen bonds, forming layers parallel to theacplane. C—H...π contacts further stabilize the crystal packing.
2,6-Diamino-4-chloropyrimidinium 4-carboxybutanoate
Edison B., Balasubramani K., Thanigaimani K., Khalib N.C., Arshad S., Razak I.A.
International Union of Crystallography (IUCr)
Acta Crystallographica Section E Structure Reports Online, 2014, цитирований: 6,
open access Open access ,
doi.org, Abstract
In the title molecular salt, C4H6ClN4+·C5H7O4−, the cation is essentially planar, with a maximum deviation of 0.037 (1) Å for all non-H atoms. The anions are self-assembled through O—H...O hydrogen bonds, forming a supramolecular zigzag chain with graph-set notationC(8). In the crystal, the protonated N atom and the 2-amino group of the cation are hydrogen bonded to the carboxylate O atoms of the anionviaa pair of N—H...O hydrogen bonds with anR22(8) ring motif. This motif further self-organizes through N—H...O and O—H...O hydrogen bonds, generating an array of six hydrogen bonds, the rings having graph-set notationR32(8),R22(8),R42(8),R22(8) andR32(8). In addition, another type ofR22(8) motif is formed by inversion-related pyrimidinium cationsviaN—H...N hydrogen bonds, forming a two-dimensional network parallel to (101).
Bis{2-methoxy-6-[(E)-(4-methylbenzyl)iminomethyl]phenolato}palladium(II) chloroform monosolvate
Bahron H., Tajuddin A.M., Ibrahim W.N., Chantrapromma S., Fun H.
International Union of Crystallography (IUCr)
Acta Crystallographica Section E Structure Reports Online, 2014, цитирований: 5,
open access Open access ,
doi.org, Abstract
In the title complex, [Pd(C16H16NO2)2]·CHCl3, the PdIIcation lies on an inversion center. One Cl atom of the CHCl3solvent molecule lies on a twofold axis and the C—H group is disordered with equal occupancies about this axis with the other Cl atom in a general position with full occupancy. The PdIIcation is four-coordinate and adopts a square-planar geometryviacoordination of the imine N and phenolic O atoms of the two bidentate Schiff base anions. The N and O atoms of these ligands are mutuallytrans. The plane of the benzene ring makes a dihedral angle of 73.52 (10)° with that of the methoxyphenolate ring. In the crystal, molecules of the PdIIcomplex are arranged into sheets parallel to theacplane, and the chloroform solvent molecules are located in the interstitial areas between the complex molecules. Weak intermolecular C—H...O and C—H...π interactions stabilize the packing.
2,6-Diamino-4-(4-chlorophenyl)-1-methyl-1,4-dihydropyridine-3,5-dicarbonitrile
Purushothaman M., Thanigaimani K., Arshad S., Silambarasan S., Razak I.A., Ali K.M.
International Union of Crystallography (IUCr)
Acta Crystallographica Section E Structure Reports Online, 2014, цитирований: 2,
open access Open access ,
doi.org, Abstract
In the title compound, C14H12ClN5, the dihydropyridine ring adopts a shallow boat conformation. The dihedral angle between the plane of this ring and that of the chlorobenzene ring is 69.15 (15)°. In the crystal, molecules are linked by N—H...N and N—H...Cl hydrogen bonds, generating (001) sheets.
Crystal structures of 1,4-diazabicyclo[2.2.2]octan-1-ium 4-nitrobenzoate dihydrate and 1,4-diazabicyclo[2.2.2]octane-1,4-diium bis(4-nitrobenzoate): the influence of solvent upon the stoichiometry of the formed salt
Akhmad Aznan A.M., Abdullah Z., Tiekink E.R.
International Union of Crystallography (IUCr)
Acta Crystallographica Section E Structure Reports Online, 2014, цитирований: 2,
open access Open access ,
doi.org, Abstract
The 1:1 co-crystallization of 1,4-diazabicyclo[2.2.2]octane (DABCO) with 4-nitrobenzoic acid in ethanol–water (3/1) gave the salt dihydrate C6H13N2+·C7H4NO4−·2H2O, (1), whereas from methanol, the salt C6H14N22+·2C7H4NO4−, (2), was isolated. In (1), the cation and anion are linked by a strong N—H...O hydrogen bond, and the carboxylate anion is close to planar [dihedral angle between terminal residues = 6.83 (9)°]. In (2), a three-ion aggregate is assembled by two N—H...O hydrogen bonds, and the carboxylate anions are again close to planar [dihedral angles between terminal residues = 1.7 (3) and 5.9 (3)°]. Through the intervention of solvent water molecules, which self-assemble into helical supramolecular chains along thebaxis, the three-dimensional architecture in (1) is stabilized by water–DABCO O—H...N and water–carboxylate O—H...O hydrogen bonds, with additional stability afforded by C—H...O interactions. The global crystal structure comprises alternating layers of water molecules and ion pairs stacked along thecaxis. In the crystal of (2), the three-ion aggregates are assembled into a three-dimensional architecture by a large number of methylene–carboxylate/nitro C—H...O interactions as well as π–π contacts between inversion-related benzene rings [inter-centroid distances = 3.5644 (16) and 3.6527 (16) Å]. The cations and anions assemble into alternating layers along thecaxis.
6-[(2-Methylphenyl)sulfanyl]-5-propylpyrimidine-2,4(1H,3H)-dione
Haress N.G., Ghabbour H.A., El-Emam A.A., Chidan Kumar C.S., Fun H.
International Union of Crystallography (IUCr)
Acta Crystallographica Section E Structure Reports Online, 2014, цитирований: 1,
open access Open access ,
doi.org, Abstract
In the title pyrimidine-2,4-dione derivative, C14H16N2O2S, the dihedral angle between the six-membered rings is 77.81 (10)°. The molecule is twisted about the Cp—S (p = pyrimidine) bond, with a C—S—C—N torsion angle of −59.01 (17)°. An intramolecular C—H...S hydrogen bond generates anS(5) ring motif. In the crystal, bifurcated acceptor N—H...O and C—H...O hydrogen bonds generate inversion-related dimers incorporatingR21(9) andR22(8) loops. These dimers are connected into a chain extending along thea-axis direction by a second pair of inversion-related N—H...O hydrogen bonds, forming anotherR22(8) loop. The crystal structure is further stabilized by weak intermolecular C—H...π interactions, generating a three-dimensional network.
3-(Adamantan-1-yl)-4-benzyl-1H-1,2,4-triazole-5(4H)-thione
Al-Omary F.A., Ghabbour H.A., El-Emam A.A., Chidan Kumar C.S., Fun H.
International Union of Crystallography (IUCr)
Acta Crystallographica Section E Structure Reports Online, 2014, цитирований: 4,
open access Open access ,
doi.org, Abstract
The title compound, C19H23N3S, is a functionalized triazoline-3-thione derivative. The benzyl ring is almost normal to the planar 1,2,4-triazole ring (r.m.s. deviation = 0.007 Å) with a dihedral angle of 86.90 (7)°. In the crystal, molecules are linked by pairs of N—H...S hydrogen bonds, forming inversion dimers that encloseR22(8) loops. The crystal packing is further stabilized by weak C—H...π interactions that link adjacent dimeric units into supramolecular chains extending along thea-axis direction.
2-[(3S,3aS,5R,8S,8aS)-3,8-Dimethylhexahydro-1H,4H-3a,8a-epoxyazulen-5-yl]propan-2-ol
Burrett S., Taylor D.K., Tiekink E.R.
International Union of Crystallography (IUCr)
Acta Crystallographica Section E Structure Reports Online, 2014, цитирований: 2,
open access Open access ,
doi.org, Abstract
Four independent molecules (A–D) comprise the asymmetric unit of the title compound, C15H26O2, which differ only in the relative orientations of the terminal –C(Me)2OH groups [e.g.the range of Cmethylene—Cmethine—Cquaternary—Ohydroxytorsion angles is 52.7 (7)–57.1 (6)°, where the Cmethyleneatom is bound to an epoxide C atom]. The five-membered rings adopt envelope conformations, with the methylene C atom adjacent to the methine C atom being the flap atom in each case. In each molecule, the conformation of the seven-membered ring is a half-chair, with the Cmethylene—Cmethinebond, flanked by methylene C atoms, being the back of the chair. Supramolecular helical chains along thebaxis are found in the crystal packing, sustained by hydroxy–epoxide O—H...O hydrogen bonding. Molecules ofAself-associate into a chain as do those ofD. A third independent chain comprisingBandCmolecules is also formed. The studied crystal is a pseudo-merohedral twin (minor componentca21%).
Corymbolone
Burrett S., Taylor D.K., Tiekink E.R.
International Union of Crystallography (IUCr)
Acta Crystallographica Section E Structure Reports Online, 2014, цитирований: 1,
open access Open access ,
doi.org, Abstract
The title compound, C15H24O2[systematic name: (4S,4aR,6R,8aR)-4a-hydroxy-4,8a-dimethyl-6-(prop-1-en-2-yl)octahydronaphthalen-1(2H)-one], features two edge-shared six-membered rings with the hydroxyl and methyl substituents at this bridge beingtrans. One adopts a flattened chair conformation with the C atoms bearing the carbonyl and methyl substituents lying 0.5227 (16) and 0.6621 (15) Å, respectively, above and below the mean plane through the remaining four C atoms (r.m.s. deviation = 0.0145 Å). The second ring, bearing the prop-1-en-2-yl group, has a chair conformation. Supramolecular helical chains along thebaxis are found in the crystal packing, which are sustained by hydroxy–carbonyl O—H...O hydrogen bonding.
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