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.

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.

1,4-Bis[2,2-bis(trimethylsilyl)ethenyl]benzene

2007 ◽  
Vol 63 (11) ◽  
pp. o4357-o4357
Author(s):  
Piotr Pawluć ◽  
Bogdan Marciniec ◽  
Maciej Kubicki
Keyword(s):  
Crystal Structure ◽  
Title Compound ◽  
Van Der Waals ◽  
Van Der Waals Interactions ◽  
Compound C

The molecules of the title compound, C22H42Si4, are centrosymmetric. van der Waals interactions determine the crystal structure.

Methyl [(1E)-(4-methoxyphenyl)methyleneamino]acetate

2007 ◽  
Vol 63 (3) ◽  
pp. o1459-o1461 ◽  
Author(s):  
Hector Novoa de Armas ◽  
Enriquez Ruiz Reyes ◽  
Esperanza Salfrán Solano ◽  
Margarita Suárez Navarro ◽  
Norbert Blaton
Keyword(s):  
Crystal Structure ◽  
Title Compound ◽  
Weak Interactions ◽  
Van Der Waals ◽  
Van Der Waals Interactions ◽  
Compound C ◽  
Methoxycarbonyl Group

In the title compound, C11H13NO3, the methoxycarbonyl group is rotated out of the plane of the 4-methoxybenzyl group. The conformation found in the crystal structure differs from that computed in vacuo, where the two groups are coplanar. The crystal structure is stabilized by van der Waals interactions and weak interactions of the C—H...O type.

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 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.

(2RS,5RS,6RS)-Ethyl 4-hydroxy-2,6-di-p-tolyl-5-p-tolylsulfanyl-1,2,5,6-tetrahydropyridine-3-carboxylate

2007 ◽  
Vol 63 (3) ◽  
pp. o1375-o1376 ◽  
Author(s):  
J. Suresh ◽  
R. Suresh Kumar ◽  
S. Perumal ◽  
S. Natarajan
Keyword(s):  
Crystal Structure ◽  
Title Compound ◽  
Van Der Waals ◽  
Chair Conformation ◽  
Π Interactions ◽  
Compound C ◽  
Graph Set

The polysubstituted piperidine enol ring in the title compound, C29H31NO3S, adopts a twisted half-chair conformation. The crystal structure is stabilized by van der Waals and weak C—H...π interactions. An intramolecular O—H...O interaction generates an S(6) graph-set motif.

scholarly journals Ethyl (3-nitro-2-oxo-1,2-dihydropyridin-1-yl)acetate

2006 ◽  
Vol 62 (7) ◽  
pp. o2714-o2716 ◽  
Author(s):  
N. David Karis ◽  
Wendy A. Loughlin ◽  
Ian D. Jenkins ◽  
Peter C. Healy
Keyword(s):  
Crystal Structure ◽  
Title Compound ◽  
Van Der Waals ◽  
The Other ◽  
Van Der Waals Interactions ◽  
Asymmetric Unit ◽  
Π Interactions ◽  
Compound C ◽  
Independent Molecules

The title compound, C9H10N2O5, crystallizes with two crystallographically independent molecules in the asymmetric unit. In the crystal structure, the nitropyridone rings are connected by weak C—H...O interactions, forming sheet-like arrays, which are in turn linked by C—H...π and π–π interactions between the nitropyridone rings on one side, and by C—H...O and van der Waals interactions between the ester groups on the other.

scholarly journals Crystal structure of 2,4-bis(2-chlorophenyl)-7-tert-pentyl-3-azabicyclo[3.3.1]nonan-9-one

2014 ◽  
Vol 70 (11) ◽  
pp. o1161-o1162
Author(s):  
Dong Ho Park ◽  
V. Ramkumar ◽  
P. Parthiban
Keyword(s):  
Crystal Structure ◽  
Title Compound ◽  
Crystal Packing ◽  
Van Der Waals ◽  
Chair Conformation ◽  
Equatorial Orientation ◽  
Equatorial Position ◽  
Acta Cryst ◽  
Compound C ◽  
Van Der Waals Contacts

The title compound, C25H29Cl2NO, which is a chloro analog of 2,4-bis(2-bromophenyl)-7-(tert-pentyl)-3-azabicyclo[3.3.1]nonan-9-one [Park, Ramkumar & Parthiban (2012).Acta Cryst.E68, o2946], exists in a twin-chair conformation with an equatorial orientation of the 2-chlorophenyl groups. Thetert-pentyl group on the cyclohexanone adopts an exocyclic equatorial position and is disordered between two orientations in a ratio 0.520 (8):0.480 (8). The crystal packing shows no directional contacts beyond van der Waals contacts.

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.

scholarly journals 4-Phenyl-1,2,4-triazaspiro[4.4]non-1-ene-3-thione

2014 ◽  
Vol 70 (4) ◽  
pp. o433-o434 ◽  
Author(s):  
Joel T. Mague ◽  
Shaaban K. Mohamed ◽  
Mehmet Akkurt ◽  
Alaa A. Hassan ◽  
Mustafa R. Albayati
Keyword(s):  
Crystal Structure ◽  
Title Compound ◽  
Phenyl Ring ◽  
Chair Conformation ◽  
Van Der Waals Interactions ◽  
Maximum Deviation ◽  
Compound C ◽  
Cyclopentane Ring ◽  
Two Component ◽  
The Mean

In the title compound, C12H13N3S, the 4,5-dihydro-3H-1,2,4-triazole system is nearly planar [maximum deviation = 0.014 (2) Å], while the cyclopentane ring adopts a half-chair conformation. The dihedral angle between the mean plane of the 4,5-dihydro-3H-1,2,4-triazole-3-thione ring and the phenyl ring is 85.49 (14)°, with the S atom 0.046 (1) Å out of the former plane. The crystal structure is stabilized only by van der Waals interactions. The investigated crystal was found to be a non-merohedral two-component twin by a 180° rotation aboutc*, with a refined value of the minor twin fraction of 0.12203 (18).

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