scholarly journals Methyl 2-butyl-4-hydroxy-1,1-dioxo-2H-1,2-benzothiazine-3-carboxylate

2012 ◽  
Vol 68 (6) ◽  
pp. o1663-o1663 ◽  
Author(s):  
Muhammad Nadeem Arshad ◽  
Islam Ullah Khan ◽  
Muhammad Zia-ur-Rehman ◽  
Waseem Ahmed ◽  
Abdullah M. Asiri
Keyword(s):  
Hydrogen Bond ◽  
Dihedral Angle ◽  
Title Compound ◽  
Chair Conformation ◽  
Compound C ◽  
Thiazine Ring ◽  
Ring Motif

In the title compound, C14H17NO5S, the thiazine ring adopts a half-chair conformation. The molecule exhibits an intramolecular O—H...O hydrogen bond, which forms a six-membered S(6) ring motif. The planes of the benzene and thiazine rings are inclined at a dihedral angle of 15.30 (12)°.

scholarly journals 3-(4-Fluorobenzoyl)-4-(4-fluorophenyl)-4-hydroxy-2,6-diphenylcyclohexane-1,1-dicarbonitrile

2014 ◽  
Vol 70 (6) ◽  
pp. o736-o737
Author(s):  
B. Narayana ◽  
M Sapnakumari ◽  
Balladka K. Sarojini ◽  
Jerry P. Jasinski
Keyword(s):  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Title Compound ◽  
Phenyl Ring ◽  
Chair Conformation ◽  
Dihedral Angles ◽  
Compound C ◽  
Phenyl Rings ◽  
Ring Motif

In the title compound, C33H24F2N2O2, the cyclohexane ring adopts a slightly distorted chair conformation. The dihedral angle between the planes of the phenyl rings is 71.80 (9)°, while the planes of the fluorophenyl and fluorobenzoyl rings are inclined to one another by 31.04 (10)°. The dihedral angles between the planes of the phenyl ring adjacent to the 4-hydroxy group and those of the the fluorophenyl and fluorobenzoyl rings are 51.64 (10) and 34.31 (10)°, respectively, while the corresponding angles for the phenyl ring adjacent to the 3-(4-fluorobenzoyl) group are 57.51 (9) and 85.02 (10)°, respectively. An intramolecular O—H...O hydrogen bond generates anS(6) ring motif. In the crystal, molecules are linkedviapairs of O—H...N hydrogen bonds, forming inversion dimers. The dimers are linkedviaC—H...N and C—H...O hydrogen bonds, forming chains along thec-axis direction. C—H...F hydrogen bonds link the chains into sheets lying parallel to thebcplane.

scholarly journals 1-Cyclohexyl-5-(2-hydroxybenzoyl)-3-nitropyridin-2(1H)-one

IUCrData ◽  
2017 ◽  
Vol 2 (1) ◽  
Author(s):  
T. Siva Ranjani ◽  
N. Poomathi ◽  
G. Vimala ◽  
Paramasivam T. Perumal ◽  
K. Sakthi Murugesan
Keyword(s):  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Title Compound ◽  
Chair Conformation ◽  
Cyclohexane Ring ◽  
Axis Direction ◽  
Π Interactions ◽  
Compound C ◽  
Ring Motif

In the title compound, C18H18N2O5, the cyclohexane ring adopts a chair conformation, and its mean plane is almost normal to the central pyridin-2-one ring with a dihedral angle of 87.94 (8)°. The latter ring is inclined to the 2-hydroxybenzoyl ring by 50.92 (8)°. There is an intramolecular O—H...O hydrogen bond in this unit forming anS(6) ring motif. The NO2group is disordered over two orientations of equal occupancy. In the crystal, molecules are linkedviaC—H...O hydrogen bonds, forming chains propagating along [001]. Inversion-related chains are linked by C—H...π interactions, forming columns along thec-axis direction.

scholarly journals 5,5-Dimethyl-2,2-bis(pyridin-2-yl)-1,3-diazinane

2012 ◽  
Vol 68 (6) ◽  
pp. o1786-o1786 ◽  
Author(s):  
Ismail Warad ◽  
Afaf Alruwaili ◽  
Saud I. Al-Resayes ◽  
M. Iqbal Choudhary ◽  
Sammer Yousuf
Keyword(s):  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Title Compound ◽  
Molecular Conformation ◽  
Chair Conformation ◽  
Bond Forming ◽  
Compound C ◽  
Graph Set ◽  
Ring Motif

In the molecule of the title compound, C16H20N4, the 1,3-diazinane ring adopts a chair conformation and the dihedral angle formed by the pyridine rings is 78.64 (8)°. The molecular conformation is stabilized by an intramolecular C—H...N hydrogen bond, forming an S(6) ring motif. In the crystal, centrosymmetrically related molecules are linked into dimers by pairs of N—H...N hydrogen bonds, generating rings of R 2 2(10) graph-set motif.

scholarly journals Crystal structure of 1-benzyl-4-formyl-1H-pyrrole-3-carboxamide

2016 ◽  
Vol 72 (2) ◽  
pp. 133-135
Author(s):  
Qi-Di Zhong ◽  
Sheng-Quan Hu ◽  
Hong Yan
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Title Compound ◽  
Π Interactions ◽  
Bond Forming ◽  
Compound C ◽  
The Mean ◽  
Ring Motif

In the title compound, C13H12N2O2(I), the mean planes of the pyrrole and benzyl rings are approximately perpendicular, forming a dihedral angle of 87.07 (4) °. There is an intramolecular N—H...O hydrogen bond forming an S(7) ring motif. In the crystal, molecules are linkedviaa pair of N—H...O hydrogen bonds forming inversion dimers. C—H...O hydrogen bonds link the dimers into chains along direction [10-1]. The chains are further linked by weak C—H...π interactions forming layers parallel to theacplane.

scholarly journals 4-Chloro-5-(morpholin-4-yl)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]pyridazin-3(2H)-one

IUCrData ◽  
2017 ◽  
Vol 2 (3) ◽  
Author(s):  
Yanwen Sun ◽  
Haolei Wu ◽  
Changheng Wei ◽  
Mei Gao ◽  
Zeyi Shen ◽  
...  
Keyword(s):  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Title Compound ◽  
Chair Conformation ◽  
Dihedral Angles ◽  
Bond Forming ◽  
Compound C ◽  
Pyridazine Ring ◽  
Morpholine Ring

In the title compound, C17H16ClN5O3, the phenyl and the oxadiazole rings are almost coplanar, subtending a dihedral angle of 4.34 (19)°. These rings lie almost normal to the pyridazine ring, making dihedral angles of 87.35 (16) and 89.06 (15)°, respectively. The morpholine ring has the usual chair conformation and its mean plane is inclined to the pyridazine ring by 39.45 (17)°. There is a short intramolecular C—H...Cl contact present. In the crystal, molecules are linked by bifurcated C—(H,H)...O hydrogen bonds and a C—H...N hydrogen bond, forming layers parallel to the ab plane.

scholarly journals (Z)-3-[(2-Aminobenzyl)amino]-1-phenylbut-2-en-1-one

2014 ◽  
Vol 70 (7) ◽  
pp. o742-o742
Author(s):  
Vedavalli Sairaj ◽  
Thothadri Srinivasan ◽  
Muthusamy Kandaswamy ◽  
Devadasan Velmurugan
Keyword(s):  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Title Compound ◽  
Aromatic Rings ◽  
Compound C ◽  
Ring Motif

In the title compound, C17H18N2O, the aromatic rings are almost normal to one another, making a dihedral angle of 89.00 (8)°. There is an intramolecular N—H...O hydrogen bond in the molecule enclosing anS(6) ring motif. In the crystal, molecules are linked by N—H...O hydrogen bonds, forming chains along [010].

scholarly journals Ethyl 4-anilino-3-nitrobenzoate

2012 ◽  
Vol 68 (6) ◽  
pp. o1684-o1684 ◽  
Author(s):  
Yeong Keng Yoon ◽  
Elumalai Manogaran ◽  
Mohamed Ashraf Ali ◽  
Suhana Arshad ◽  
Ibrahim Abdul Razak
Keyword(s):  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Title Compound ◽  
Compound C ◽  
Phenyl Rings ◽  
Ring Motif

In the title compound, C15H14N2O4, the dihedral angle between the benzene and phenyl rings is 73.20 (6)°. An intramolecular N—H...O hydrogen bond forms an S(6) ring motif. In the crystal, molecules are linked by N—H...O and C—H...O hydrogen bonds into a layer parallel to the bc plane.

scholarly journals 2-(2,3-Dimethylanilino)benzohydrazide

2012 ◽  
Vol 68 (8) ◽  
pp. o2527-o2528 ◽  
Author(s):  
Hoong-Kun Fun ◽  
Tze Shyang Chia ◽  
Tilal Elsaman ◽  
Mohamed I. Attia ◽  
Hatem A. Abdel-Aziz
Keyword(s):  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Benzene Ring ◽  
Dihedral Angle ◽  
Title Compound ◽  
Crystal Packing ◽  
Compound C ◽  
Benzene Rings ◽  
Common Plane ◽  
Ring Motif

In the title compound, C15H17N3O, the dihedral angle between the benzene rings is 58.05 (9)°. The non-H atoms of the hydrazide group lie in a common plane (r.m.s. deviation = 0.0006 Å) and are close to coplanar with their attached benzene ring [dihedral angle = 8.02 (9)°]. An intramolecular N—H...O hydrogen bond generates anS(6) ring motif in the molecule, and a short intramolecular contact (H...H = 1.88 Å) is also observed. In the crystal, molecules are linked by pairs of N—H...N hydrogen bonds into inversion dimers. The crystal packing also features C—H...π interactions.

scholarly journals Crystal structure of (E)-N-cyclohexyl-2-(2-hydroxy-3-methylbenzylidene)hydrazine-1-carbothioamide

2019 ◽  
Vol 75 (7) ◽  
pp. 1065-1068
Author(s):  
Md. Azharul Arafath ◽  
Huey Chong Kwong ◽  
Farook Adam
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Title Compound ◽  
Chair Conformation ◽  
Cyclohexane Ring ◽  
Asymmetric Unit ◽  
Compound C ◽  
The Mean ◽  
Independent Molecules ◽  
Ring Motif

The asymmetric unit of the title compound, C15H21N3OS, comprises of two crystallographically independent molecules (A and B). Each molecule consists of a cyclohexane ring and a 2-hydroxy-3-methylbenzylidene ring bridged by a hydrazinecarbothioamine unit. Both molecules exhibit an E configuration with respect to the azomethine C=N bond. There is an intramolecular O—H...N hydrogen bond in each molecule forming an S(6) ring motif. The cyclohexane ring in each molecule has a chair conformation. The benzene ring is inclined to the mean plane of the cyclohexane ring by 47.75 (9)° in molecule A and 66.99 (9)° in molecule B. The mean plane of the cyclohexane ring is inclined to the mean plane of the thiourea moiety [N—C(=S)—N] by 55.69 (9) and 58.50 (8)° in molecules A and B, respectively. In the crystal, the A and B molecules are linked by N—H...S hydrogen bonds, forming `dimers'. The A molecules are further linked by a C—H...π interaction, hence linking the A–B units to form ribbons propagating along the b-axis direction. The conformation of a number of related cyclohexanehydrazinecarbothioamides are compared to that of the title compound.

scholarly journals 2-[(4,6-Diaminopyrimidin-2-yl)sulfanyl]-N-(4-methoxyphenyl)acetamide

IUCrData ◽  
2018 ◽  
Vol 3 (4) ◽  
Author(s):  
Manisha Choudhury ◽  
Vijayan Viswanathan ◽  
Ajay Kumar Timiri ◽  
Barij Nayan Sinha ◽  
Venkatesan Jayaprakash ◽  
...  
Keyword(s):  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Benzene Ring ◽  
Dihedral Angle ◽  
Title Compound ◽  
Pyrimidine Ring ◽  
Dihedral Angles ◽  
Π Interactions ◽  
Compound C ◽  
Ring Motif

In the title compound, C13H15N5O2S, the acetamide N—C(=O)—C plane makes dihedral angles of 30.51 (11) and 51.93 (11)°, respectively, with the benzene ring and the pyrimidine ring. The dihedral angle between the benzene and pyrimidine rings is 43.40 (6)°. There is an intramolecular N—H...N hydrogen bond with an S(7) ring motif. In the crystal, molecules are linked by pairs of intermolecular N—H...N hydrogen bonds, forming inversion dimers with an R 2 2(8) ring motif. The molecules are further linked by intermolecular N—H...O hydrogen bonds, forming a C(9) chain along [100]. Intermolecular C—H...π and N—H...π interactions are also observed.

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