scholarly journals Ethyl 2,6-bis(4-chlorophenyl)-1-isocyano-4-oxocyclohexanecarboxylate

2014 ◽  
Vol 70 (7) ◽  
pp. o802-o802
Author(s):  
Dawei Zhang ◽  
Peng Yang ◽  
Wei Liu ◽  
Jing Li
Keyword(s):  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Title Compound ◽  
Membered Ring ◽  
Boat Conformation ◽  
Equatorial Position ◽  
Aryl Group ◽  
Compound C ◽  
Twist Boat

In the title compound, C22H19Cl2NO3, the central six-membered ring is in a twist-boat conformation. The two aryl groups are in equatorial positions,transto each other and with a dihedral angle of 77.50 (2)° between them. One of the least hindered –CH2– groups and one of the aryl-substituted C atoms, with its axial H atom, are in the flagpole positions. The ethoxycarbonyl group is in an equatorial position and iscisto the second aryl group. In the crystal, molecules are linkedviaweak C—H...O hydrogen bonds, forming chains along [010].

scholarly journals (1S,2R,3S,6S,7R)-3,7,11,11-Tetramethyl-6,7-epoxybicyclo[5.4.0]undecane-2-ol

2014 ◽  
Vol 70 (5) ◽  
pp. o595-o595
Author(s):  
Mohamed Loubidi ◽  
Ahmed Benharref ◽  
Lahcen El Ammari ◽  
Mohamed Saadi ◽  
Moha Berraho
Keyword(s):  
Hydrogen Bonds ◽  
Title Compound ◽  
Membered Ring ◽  
Boat Conformation ◽  
Axis Direction ◽  
Cedrus Atlantica ◽  
Compound C ◽  
Twist Boat

The title compound, C15H26O2, was synthesized from β-himachalene (3,5,5,9-tetramethyl-2,4a,5,6,7,8-hexahydro-1H-benzocycloheptene), which was isolated from the Atlas cedar (cedrus atlantica). The molecule is built up from a seven-membered ring to which a six- and a three-membered ring are fused. The seven- and six-membered rings each have a twist-boat conformation. In the crystal, O—H...O hydrogen bonds link the molecules into zigzag chains running along theb-axis direction.

scholarly journals Crystal structure of 5,11-dihydropyrido[2,3-b][1,4]benzodiazepin-6-one

2015 ◽  
Vol 71 (5) ◽  
pp. o304-o305 ◽  
Author(s):  
Noura M. Riad ◽  
Darius P. Zlotos ◽  
Ulrike Holzgrabe
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Receptor Antagonist ◽  
Dihedral Angle ◽  
Title Compound ◽  
Membered Ring ◽  
Boat Conformation ◽  
Aromatic Rings ◽  
Compound C

The title compound, C12H9N3O, is an intermediate in the synthesis of the muscarinic M2 receptor antagonist AFDX-384. The seven-membered ring adopts a boat conformation and the dihedral angle between the planes of the aromatic rings is 41.51 (9)°. In the crystal, molecules are linked into [001] chains of alternating inversion dimers formed by pairs of N—H...O hydrogen bonds and pairs of N—H...N hydrogen bonds. In both cases,R22(8) loops are generated.

scholarly journals 3-Ethyl-6-(4-fluorophenyl)-7H-1,2,4-triazolo[3,4-b][1,3,4]thiadiazine

2012 ◽  
Vol 68 (6) ◽  
pp. o1860-o1860
Author(s):  
S. Jeyaseelan ◽  
H. C. Devarajegowda ◽  
R. Sathishkumar ◽  
Agnes Sylvia D'souza ◽  
Alphonsus D'souza
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Benzene Ring ◽  
Dihedral Angle ◽  
Title Compound ◽  
Crystal Packing ◽  
Boat Conformation ◽  
Compound C ◽  
Centroid Distance ◽  
Twist Boat

In the title compound, C12H11FN4S, the thiadiazine ring adopts a twist-boat conformation. The dihedral angle between the triazolothiadiazine system and the benzene ring is 10.54 (9)°. The crystal structure is characterized by C—H...N hydrogen bonds. The crystal packing also exhibits π–π interactions, with a centroid–centroid distance of 3.6348 (15) Å.

scholarly journals 2-(3,4-Dimethoxyphenyl)-4-(thiophen-2-yl)-2,3-dihydro-1,5-benzothiazepine

2014 ◽  
Vol 70 (2) ◽  
pp. o121-o121 ◽  
Author(s):  
B. C. Manjunath ◽  
M. Manjula ◽  
K. R. Raghavendra ◽  
S. Shashikanth ◽  
K. Ajay Kumar ◽  
...  
Keyword(s):  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Title Compound ◽  
Thiophene Ring ◽  
Boat Conformation ◽  
Compound C ◽  
Benzene Rings ◽  
The Mean ◽  
Twist Boat

In the title compound, C21H19NO2S2, the seven-membered thiazepine ring adopts a slightly distorted twist boat conformation. The dihedral angle between the benzene rings is 67.4 (2)°. The mean plane of the thiophene ring is twisted by 59.3 (2) and 87.7 (2)° from the mean planes of the benezene rings. In the crystal, inversion dimers linked by pairs of C—H...O hydrogen bonds generateR22(20) loops.

scholarly journals 2-(3-Chlorophenyl)-3,4-dihydrobenzo[f][1,4]oxazepin-5(2H)-one

IUCrData ◽  
2018 ◽  
Vol 3 (4) ◽  
Author(s):  
Ling Zhong ◽  
Jianyou Shi ◽  
Lei Zhong ◽  
Xin Wei ◽  
Hongjia Xhang ◽  
...  
Keyword(s):  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Title Compound ◽  
Membered Ring ◽  
Boat Conformation ◽  
Compound C ◽  
Benzene Rings

In the title compound, C15H12ClNO2, the dihedral angle between the two benzene rings is 73.45 (11)°. The central seven-membered ring is in a psuedo-boat conformation. In the crystal, pairs of molecules are linked by N—H...O hydrogen bonds, forming inversion dimers.

scholarly journals 6-(4-Bromophenyl)-3-methyl-7H-1,2,4-triazolo[3,4-b][1,3,4]thiadiazine

2012 ◽  
Vol 68 (6) ◽  
pp. o1681-o1681
Author(s):  
Hoong-Kun Fun ◽  
Ching Kheng Quah ◽  
Hatem A. Abdel-Aziz ◽  
Mohamed I. Attia
Keyword(s):  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Title Compound ◽  
Triazole Ring ◽  
Boat Conformation ◽  
Compound C ◽  
Twist Boat

In the title compound, C11H9BrN4S, the 1,2,4-triazole ring is essentially planar (r.m.s. deviation = 0.020 Å) and makes a dihedral angle of 29.1 (5)° with the bromobenzene ring. The 3,6-dihydro-1,3,4-thiadiazine ring adopts a twist-boat conformation. In the crystal, molecules are linked by C—H...N interactions into sheets lying parallel to the (010) plane. The same N atom accepts two such hydrogen bonds.

scholarly journals 2,6-Diamino-4-(4-chlorophenyl)-1-methyl-1,4-dihydropyridine-3,5-dicarbonitrile

2014 ◽  
Vol 70 (7) ◽  
pp. o812-o813 ◽  
Author(s):  
Michael Purushothaman ◽  
Kaliyaperumal Thanigaimani ◽  
Suhana Arshad ◽  
Sekar Silambarasan ◽  
Ibrahim Abdul Razak ◽  
...  
Keyword(s):  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Title Compound ◽  
Boat Conformation ◽  
Compound C ◽  
Dihydropyridine Ring

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.

scholarly journals (Z)-3-Benzyl-1,5-benzothiazepin-4(5H)-one

2012 ◽  
Vol 68 (8) ◽  
pp. o2329-o2329
Author(s):  
V. Sabari ◽  
R. Selvakumar ◽  
M. Bakthadoss ◽  
S. Aravindhan
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Membered Ring ◽  
Boat Conformation ◽  
Compound C

In the crystal structure of the title compound, C16H13NOS, molecules are linked into cyclic centrosymmetricR22(8) dimersviapairs of N—H...O hydrogen bonds. The seven-membered ring adopts a boat conformation.

(Z)-5-(2-Fluorobenzylidene)-1,3-thiazolidine-2,4-dione

2007 ◽  
Vol 63 (11) ◽  
pp. o4473-o4473
Author(s):  
Hong-shun Sun ◽  
Chuan-hao Yao ◽  
Wei He ◽  
Shi-gui Tang ◽  
Cheng Guo
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Title Compound ◽  
Membered Ring ◽  
Compound C

In the title compound, C10H6FNO2S, the benzene and thiazolidine rings are oriented at a dihedral angle of 8.90 (3)°. Intramolecular C—H...O, C—H...F and C—H...S hydrogen bonds result in the formation of two nearly planar five-membered rings and one non-planar six-membered ring, the five-membered rings being also nearly coplanar with the adjacent rings. In the crystal structure, intermolecular N—H...O and C—H...O hydrogen bonds link the molecules.

2,4,4-Trimethyl-N-phenyl-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine-1-carboxamide

2007 ◽  
Vol 63 (11) ◽  
pp. o4264-o4264 ◽  
Author(s):  
A Thiruvalluvar ◽  
S Ponnuswamy
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Title Compound ◽  
Boat Conformation ◽  
Equatorial Orientation ◽  
Methyl Group ◽  
Compound C ◽  
Benzene Rings

In the title compound, C19H23N3O, the seven-membered diazepine ring adopts a boat conformation. The phenylcarbamoyl group is coplanar with the N atom and its two attached C atoms. The methyl group at position 2 has an equatorial orientation. The dihedral angle between the two benzene rings is 81.07 (9)°. The crystal structure is stabilized by intramolecular C—H...O and intermolecular N—H...O hydrogen bonds.

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