scholarly journals Absolute configuration of (1S,3R,8R)-10-bromomethyl-2,2-dichloro-3,7,7-trimethyltricyclo[6.4.0.01,3]dodec-9-ene

2013 ◽  
Vol 69 (11) ◽  
pp. o1692-o1693 ◽  
Author(s):  
Abdoullah Bimoussa ◽  
Aziz Auhmani ◽  
My Youssef Ait Itto ◽  
Jean-Claude Daran ◽  
Abdelwahed Auhmani
Keyword(s):  
Absolute Configuration ◽  
Title Compound ◽  
Van Der Waals ◽  
Chair Conformation ◽  
Molecular Packing ◽  
Membered Ring ◽  
Van Der Waals Interactions ◽  
Compound C ◽  
The Absolute

The absolute configuration of the title compound, C16H23BrCl2, has been deduced from the chemical pathway and fully confirmed by refinement of the Flack and Hooft parameters. The six-membered ring adopts a half-chair conformation, whereas the seven-membered ring is a twisted chair. The molecular packing within the crystal is stabilized only by van der Waals interactions.

(1R,4S,8R,12S,13S,14R,16S,19R)-14-Hydroxy-7,7-dimethyl-17-methylene-2,9,18-trioxo-3,10-dioxapentacyclo[14.2.1.01,13.04,12.08,12]nonadec-19-yl acetate

2007 ◽  
Vol 63 (11) ◽  
pp. o4439-o4439
Author(s):  
Hao Shi
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Absolute Configuration ◽  
Title Compound ◽  
Chair Conformation ◽  
Boat Conformation ◽  
Asymmetric Unit ◽  
Compound C ◽  
Independent Molecules ◽  
The Absolute

The title compound, C22H26O8, prepared from the natural diterpenoid Macrocalyxin J, is built up from five fused rings. Cyclohenane ring A adopts a chair conformation, ring B exists in a screw-boat conformation and ring C adopts a boat conformation; the two five membered rings adopt envelope conformations. Two unique molecules are present in the asymmetric unit; both independent molecules have the same absolute configuration, the absolute configuration being deduced from the chirality of Macrocalyxin A, which was isolated from the same plant (i.e. Rabdosia macrocalyx) as Macrocalyxin J. The crystal structure displays intermolecular O—H...O hydrogen bonds.

1-Hydroxycyclohexanecarboxylic acid

2007 ◽  
Vol 63 (11) ◽  
pp. o4213-o4213
Author(s):  
Liang-zhong Xu ◽  
Guang-Wei An ◽  
Xu-Dong Yang ◽  
Xu Yi
Keyword(s):  
Hydrogen Bonds ◽  
Broad Spectrum ◽  
Title Compound ◽  
Van Der Waals ◽  
Chair Conformation ◽  
The Other ◽  
Van Der Waals Interactions ◽  
Cyclohexane Ring ◽  
Compound C ◽  
Trade Name

The title compound, C7H12O3, was synthesized as an intermediate for the synthesis of the selective broad-spectrum nonsystemic acaricide spirodiclofen (trade name Envidor). The cyclohexane ring adopts a chair conformation. The molecules pack in layers, with O—H...O hydrogen bonds connecting the layers on one side and only van der Waals interactions on the other side.

scholarly journals (7R,8S,8aS)-8-Hydroxy-7-phenylperhydroindolizin-3-one

2009 ◽  
Vol 65 (6) ◽  
pp. o1368-o1369
Author(s):  
Ľubomír Švorc ◽  
Viktor Vrábel ◽  
Štefan Marchalín ◽  
Peter Šafář ◽  
Jozef Kožíšek
Keyword(s):  
Hydrogen Bonds ◽  
Title Compound ◽  
Chair Conformation ◽  
Membered Ring ◽  
Molecular Configuration ◽  
Compound C ◽  
The Absolute

In the title compound, C14H17NO2, the six-membered ring of the indolizine system adopts a chair conformation. In the crystal, molecules form chains parallel to thebaxisviaintermolecular O—H...O hydrogen bonds. The absolute molecular configuration was assigned from the synthesis.

scholarly journals Crystal structure of (1S,2R,4S)-1-[(morpholin-4-yl)methyl]-4-(prop-1-en-2-yl)cyclohexane-1,2-diol

2015 ◽  
Vol 71 (1) ◽  
pp. 79-81 ◽  
Author(s):  
Rachid Outouch ◽  
Saadia Oubaassine ◽  
Mustapha Ait Ali ◽  
Larbi El Firdoussi ◽  
Anke Spannenberg
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Absolute Configuration ◽  
Title Compound ◽  
Chair Conformation ◽  
Asymmetric Unit ◽  
Compound C ◽  
Synthetic Procedure ◽  
Independent Molecules ◽  
The Absolute

The asymmetric unit of the title compound, C14H25NO3, contains two independent molecules with similar geometry. The morpholine and cyclohexane rings of both molecules adopt a chair conformation. Intramolecular O—H...N hydrogen bonds are observed. In the crystal, molecules are linked by O—H...O hydrogen bonds into chains parallel to the [101] direction. The chains are further connected through C—H...O hydrogen bonds forming undulating layers parallel to the (-101) plane. The absolute configuration was assigned by reference to an unchanging chiral centre in the synthetic procedure.

scholarly journals (4RS)-Methyl 4-cyano-4-cyclohexyl-4-phenylbutanoate

2012 ◽  
Vol 68 (6) ◽  
pp. o1894-o1894
Author(s):  
Gui-Sheng Sun ◽  
Yu-Lai Hu ◽  
Dan-Feng Huang ◽  
Chang-Ming Xu
Keyword(s):  
Crystal Structure ◽  
Title Compound ◽  
Van Der Waals ◽  
Chair Conformation ◽  
Van Der Waals Interactions ◽  
Compound C

In the crystal structure of the title compound, C18H23NO2, there are only van der Waals interactions present. The cyclohexyl ring has a chair conformation. The longer axes of the displacement parameters of the non-H atoms forming the ethylmethylcarboxylate skeleton are perpendicular to the plane through the non-H atoms of this skeleton.

1-Benzoyl-3-[(2-benzylsulfanyl)phenyl]thiourea

2012 ◽  
Vol 68 (12) ◽  
pp. o485-o487 ◽  
Author(s):  
Tirtha Bhattacharjee ◽  
Prasanta Gogoi ◽  
Vedavati G. Puranik ◽  
Rupesh L. Gawade ◽  
Pranjit Barman
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Van Der Waals ◽  
Membered Ring ◽  
Van Der Waals Interactions ◽  
Intermolecular Hydrogen Bonds ◽  
Compound C

In the title compound, C21H18N2OS2, a strong intramolecular N—H...O hydrogen bond [N...O = 2.642 (3) Å] between the amide N atom and the benzoyl O atom forms an almost planar six-membered ring in the central part of the molecule. In the crystal, molecules are packed through weak N—H...S interactions. Intra- and intermolecular hydrogen bonds and van der Waals interactions are the stabilizing forces for the crystal structure.

Crystal structure of camphor-1,4-homoenol p-bromobenzoate

1980 ◽  
Vol 58 (24) ◽  
pp. 2805-2807 ◽  
Author(s):  
Richard A. Pauptit ◽  
James Trotter
Keyword(s):  
Crystal Structure ◽  
Absolute Configuration ◽  
Title Compound ◽  
Membered Ring ◽  
Fourier Methods ◽  
Bond Angles ◽  
Compound C ◽  
The Absolute ◽  
Considerable Strain

Crystals of the title compound, C17H19BrO2, are orthorhombic, P212121, a = 6.875(1), b = 8.522(2), c = 26.658(6) Å, Z = 4. The structure was determined by Patterson and Fourier methods, and refined to R = 0.045 for 697 reflections with I ≥ 3σ(I); the absolute configuration was established. The four-membered ring is tightly folded, and bond angles in the vicinity of this ring indicate considerable strain.

scholarly journals (4bS,8aS)-1-Isopropyl-4b,8,8-trimethyl-4b,5,6,7,8,8a,9,10-octahydrophenanthren-2-yl acetate

2014 ◽  
Vol 70 (3) ◽  
pp. o317-o317 ◽  
Author(s):  
Radouane Oubabi ◽  
Aziz Auhmani ◽  
My Youssef Ait Itto ◽  
Abdelwahed Auhmani ◽  
Jean-Claude Daran
Keyword(s):  
Absolute Configuration ◽  
Title Compound ◽  
Chair Conformation ◽  
The Other ◽  
Compound C ◽  
Naturally Occurring ◽  
The Absolute

The hemisynthesis of the title compound, C22H32O2, was carried out through direct acetylation reaction of the naturally occurring diterpene totarol [systematic name: (4bS,8aS)-4b,8,8-trimethyl-1-propan-2-yl-5,6,7,8a,9,10-hexahydrophenanthren-2-ol]. The molecule is built up from three fused six membered rings, one saturated and two unsaturated. The central unsaturated ring has a half-chair conformation, whereas the other unsaturated ring displays a chair conformation. The absolute configuration is deduced from the chemical pathway. The value of the Hooft parameter [−0.10 (6)] allowed this absolute configuration to be confirmed.

scholarly journals Crystal structure of (1S,2S,2′R,3a′S,5R)-2′-[(5-bromo-1H-indol-3-yl)methyl]-2-isopropyl-5,5′-dimethyldihydro-2′H-spiro[cyclohexane-1,6′-imidazo[1,5-b]isoxazol]-4′(5′H)-one

2016 ◽  
Vol 72 (8) ◽  
pp. 1081-1084
Author(s):  
Siwar Ghannay ◽  
Jihed Brahmi ◽  
Soumaya Nasri ◽  
Kaïss Aouadi ◽  
Erwann Jeanneau ◽  
...  
Keyword(s):  
Molecular Structure ◽  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Absolute Configuration ◽  
Title Compound ◽  
Chair Conformation ◽  
Cyclohexane Ring ◽  
Compound C ◽  
The Absolute

In the title compound, C24H32BrN3O2, the six-membered cyclohexane ring adopts a chair conformation and the isoxasolidine ring adopts a twisted conformation. The molecule has five chiral centres and the absolute configuration has been determined in this analysis. The molecular structure is stabilized by weak intramolecular C—H...O and C—H...N contacts. In the crystal, molecules are linked by N—H...N and C—H...O hydrogen bonds, forming undulating sheets parallel to thebcplane.

scholarly journals Crystal structure of 1-benzyl-4-(2,4-dichlorophenyl)-2-imino-1,2,5,6,7,8,9,10-octahydrocycloocta[b]pyridine-3-carbonitrile

2014 ◽  
Vol 70 (11) ◽  
pp. 441-443 ◽  
Author(s):  
R. A. Nagalakshmi ◽  
J. Suresh ◽  
S. Maharani ◽  
R. Ranjith Kumar ◽  
P. L. Nilantha Lakshman
Keyword(s):  
Crystal Structure ◽  
Title Compound ◽  
Pyridine Ring ◽  
Van Der Waals ◽  
Chair Conformation ◽  
Van Der Waals Interactions ◽  
Dihedral Angles ◽  
Compound C

In the title compound, C25H23Cl2N3, the cyclooctene ring adopts a twist chair–chair conformation. The dihedral angles between the central pyridine ring (r.m.s. deviation = 0.013 Å) and the pendant chlorobenzene and benzyl rings are 78.07 (11) and 87.47 (12)°, respectively. No directional interactions could be identified in the crystal and the packing is governed by van der Waals interactions.

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