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.

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 N-Cyclohexyl-N-{[3-(4,6-dimethoxypyrimidin-2-yloxy)pyridin-2-yl]methyl}4,6-dimethoxypyrimidin-2-amine

2012 ◽  
Vol 68 (4) ◽  
pp. o1272-o1272
Author(s):  
De-Cai Wang ◽  
Yu-Jing Wang ◽  
Jun-Song Song ◽  
Ping Wei ◽  
Ping-Kai Ou-yang
Keyword(s):  
Dihedral Angle ◽  
Title Compound ◽  
Pyridine Ring ◽  
Chair Conformation ◽  
Dihedral Angles ◽  
Stacking Interaction ◽  
Compound C ◽  
Π Stacking ◽  
Π Stacking Interaction

In the title compound, C24H30N6O5, the cyclohexyl ring adopts a chair conformation, while the remainder of the molecule adopts a U-shape. The dihedral angles between the pyridine ring and the pendant pyrimidine rings are 69.04 (12) and 75.99 (9)°. The two pyrimidine rings, however, are nearly parallel to one another, with a dihedral angle of 8.56 (15)° between them. They are also involved in an intramolecular π–π stacking interaction with a distance of 3.6627 (18) Å between the ring centroids. In the crystal, C—H...O contacts link the molecules into chains along thebaxis.

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.

scholarly journals Crystal structure of (E)-2-[(4-chloro-2H-chromen-3-yl)methylidene]-N-cyclohexylhydrazinecarbothioamide

2014 ◽  
Vol 70 (9) ◽  
pp. o1039-o1040 ◽  
Author(s):  
Rajeswari Gangadharan ◽  
Jebiti Haribabu ◽  
Ramasamy Karvembu ◽  
K. Sethusankar
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Chair Conformation ◽  
Dihedral Angles ◽  
Compound C ◽  
The Mean

In the title compound, C17H20ClN3OS, the mean plane of the central thiourea core makes dihedral angles of 26.56 (9) and 47.62 (12)° with the mean planes of the chromene moiety and the cyclohexyl ring, respectively. The cyclohexyl ring adopts a chair conformation. The N–H atoms of the thiourea unit adopt ananticonformation. The chromene group is positionedtrans, whereas the cyclohexyl ring lies in thecisposition to the thione S atom, with respect to the thiourea C—N bond. In the crystal, molecules are linked by N—H...S hydrogen bonds, forming inversion dimers enclosingR22(8) ring motifs. The dimers are linked by C—H...Cl hydrogen bonds, enclosingR66(44) ring motifs, forming sheets lying parallel to (010).

scholarly journals Crystal structure of 2-(4-chlorophenyl)-4-(1H-indol-3-yl)-6-phenylpyridine-3-carbonitrile

2014 ◽  
Vol 70 (9) ◽  
pp. o978-o978 ◽  
Author(s):  
R. Vishnupriya ◽  
J. Suresh ◽  
Pethaiah Gunasekaran ◽  
Subbu Perumal ◽  
P. L. Nilantha Lakshman
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Pyridine Ring ◽  
Dihedral Angles ◽  
Compound C

In the title compound, C26H16ClN3, the dihedral angles between the central pyridine ring and the pendant phenyl, chlorobenzene and indole rings are 18.52 (12), 48.97 (11) and 21.20 (10)°, respectively. An intramolecular C—H...Nc(c = cyanide) hydrogen bond occurs. In the crystal, inversion dimers linked by pairs of N—H...Nchydrogen bonds generateR22(16) loops.

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 Crystal structure of 5-(1,3-dithian-2-yl)-2H-1,3-benzodioxole

2015 ◽  
Vol 71 (3) ◽  
pp. o167-o168
Author(s):  
Julio Zukerman-Schpector ◽  
Ignez Caracelli ◽  
Hélio A. Stefani ◽  
Olga Gozhina ◽  
Edward R. T. Tiekink
Keyword(s):  
Crystal Structure ◽  
Least Squares ◽  
Benzene Ring ◽  
Title Compound ◽  
Chair Conformation ◽  
Dihedral Angles ◽  
Equatorial Position ◽  
Asymmetric Unit ◽  
Compound C ◽  
The Difference

In the title compound, C11H12O2S2, two independent but virtually superimposable molecules,AandB, comprise the asymmetric unit. In each molecule, the 1,3-dithiane ring has a chair conformation with the 1,4-disposed C atoms being above and below the plane through the remaining four atoms. The substituted benzene ring occupies an equatorial position in each case and forms dihedral angles of 85.62 (9) (moleculeA) and 85.69 (8)° (moleculeB) with the least-squares plane through the 1,3-dithiane ring. The difference between the molecules rests in the conformation of the five-membered 1,3-dioxole ring which is an envelope in moleculeA(the methylene C atom is the flap) and almost planar in moleculeB(r.m.s. deviation = 0.046 Å). In the crystal, molecules ofAself-associate into supramolecular zigzag chains (generated by glide symmetry along thecaxis)viamethylene C—H...π interactions. Molecules ofBform similar chains. The chains pack with no specific directional intermolecular interactions between them.

scholarly journals Crystal structure of 1-[2,4-bis(4-methoxyphenyl)-3-azabicyclo[3.3.1]nonan-3-yl]ethanone

2014 ◽  
Vol 70 (11) ◽  
pp. o1171-o1172 ◽  
Author(s):  
V. Shreevidhyaa Suressh ◽  
S. Sathya ◽  
A. Akila ◽  
S. Ponnuswamy ◽  
G. Usha
Keyword(s):  
Crystal Structure ◽  
Dihedral Angle ◽  
Title Compound ◽  
Chair Conformation ◽  
Cyclohexane Ring ◽  
Piperidine Ring ◽  
Dihedral Angles ◽  
Π Interactions ◽  
Compound C

In the title compound, C24H29NO3, the azabicycle contains two six-membered rings,viz.a cyclohexane ring and a piperidine ring. The first adopts a chair conformation and the second a half-chair conformation. The dihedral angle between their mean planes is 86.21 (13)°, indicating that they are almost perpendicular to one another. The dihedral angle between the planes of the 4-methoxyphenyl rings is 17.51 (13)°, and they make dihedral angles of 81.9 (3) and 81.3 (3)° with the ethan-1-one group. In the crystal, molecules are linked by C—H...π interactions forming chains along [10-1].

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.

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