scholarly journals 5-((Methoxyimino){2-[(2-methylphenoxy)methyl]phenyl}methyl)-N-phenyl-1,3,4-oxadiazol-2-amine

2014 ◽  
Vol 70 (3) ◽  
pp. o357-o358 ◽  
Author(s):  
Devinder K. Sharma ◽  
Chetan S. Shripanavar ◽  
Sumati Anthal ◽  
Vivek K. Gupta ◽  
Rajni Kant
Keyword(s):  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Phenyl Ring ◽  
Dihedral Angles ◽  
Benzene Rings ◽  
Graph Set ◽  
Title Molecule ◽  
Methyl Phenyl

In the title molecule, C24H22N4O3, the plane of the oxadiazole ring forms a dihedral angle of 32.41 (12)° with that of the phenyl ring and dihedral angles of 74.51 (10) and 56.38 (10)° with the planes of the benzene rings. In the crystal, pairs of N—H...N hydrogen bonds link molecules into inversion dimers featuringR22(8) graph-set motifs.

scholarly journals Crystal structure of 4-[(E)-(4-chlorobenzylidene)amino]-3-(2-methylbenzyl)-1H-1,2,4-triazole-5(4H)-thione

2014 ◽  
Vol 70 (9) ◽  
pp. o1015-o1016
Author(s):  
Kamni ◽  
B. K. Sarojini ◽  
P. S. Manjula ◽  
B. Narayana ◽  
Sumati Anthal ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Triazole Ring ◽  
Dihedral Angles ◽  
Benzene Rings ◽  
Graph Set ◽  
Title Molecule

In the title molecule, C17H15ClN4S, the benzene rings form dihedral angles of 16.6 (1) and 77.2 (1)° with the triazole ring. The dihedral angle between the benzene rings is 86.6 (1)°. In the crystal, pairs of N—H...S hydrogen bonds form inversion dimers with graph-set notationR22(8). Weak C—H...S hydrogen bonds link these dimers into layers parallel to (100). Weak intramolecular C—H...S and C—H...N contacts are observed.

scholarly journals (4Z)-2-Phenyl-1-{(E)-[4-(propan-2-yl)benzylidene]amino}-4-[(thiophen-2-yl)methylidene]-1H-imidazol-5(4H)-one

IUCrData ◽  
2016 ◽  
Vol 1 (4) ◽  
Author(s):  
Kamni ◽  
Vikram D. Singh ◽  
K. N. Subbulakshmi ◽  
B. Narayana ◽  
B. K. Sarojini ◽  
...  
Keyword(s):  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Phenyl Ring ◽  
Imidazole Ring ◽  
Dihedral Angles ◽  
Stacking Interactions ◽  
Centroid Distance ◽  
Benzene Rings ◽  
Graph Set ◽  
Title Molecule

In the title molecule, C24H21N3OS, the imidazole ring subtends dihedral angles of 4.6 (1) and 20.2 (1)° with the thiophene and iso-propylbenzene rings, respectively. The plane of the imidazole ring forms a dihedral angle of 39.9 (1)° with the phenyl ring. An intramolecular C—H...N hydrogen bond closes anS(6) ring. In the crystal, pairs of C—H...O hydrogen bonds link molecules into inversion dimers featuringR22(10) graph-set motifs. Aromatic π–π stacking interactions are observed between the thiophene and imidazole rings [centroid–centroid distance = 3.570 (2) Å] and thiophene and benzene rings [centroid–centroid distance = 3.889 (2) Å]. Weak C—H...π interactions are also observed.

scholarly journals (Z)-1-[4-Fluoro-2-(pyrrolidin-1-yl)phenyl]-3-phenyl-2-(1H-1,2,4-triazol-1-yl)prop-2-en-1-one

2012 ◽  
Vol 68 (6) ◽  
pp. o1642-o1642
Author(s):  
Qin-Mei Wen ◽  
Ben-Tao Yin ◽  
Cong-Yan Yan ◽  
Cheng-He Zhou
Keyword(s):  
Hydrogen Bonds ◽  
Benzene Ring ◽  
Dihedral Angle ◽  
Phenyl Ring ◽  
Triazole Ring ◽  
Chair Conformation ◽  
Dihedral Angles ◽  
Pyrrolidine Ring ◽  
Benzene Rings ◽  
Title Molecule

In the title molecule, C21H19FN4O, the triazole ring forms dihedral angles of 67.0 (1) and 59.6 (1)° with the phenyl and fluoro-substituted benzene rings, respectively. The dihedral angle between the phenyl ring and the fluoro-substituted benzene ring is 79.1 (1)°. The pyrrolidine ring is in a half-chair conformation. In the crystal, weak C—H...O and C—H...N hydrogen bonds connect molecules into layers parallel to (001).

scholarly journals Crystal structure of (2S/2R,3S/3R)-3-hydroxy-2-phenylchroman-4-one

2015 ◽  
Vol 71 (2) ◽  
pp. o131-o132 ◽  
Author(s):  
Roumaissa Belguedj ◽  
Sofiane Bouacida ◽  
Hocine Merazig ◽  
Aissa Chibani ◽  
Abdelmalek Bouraiou
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Hydroxy Group ◽  
Phenyl Ring ◽  
Minor Component ◽  
Chair Conformation ◽  
Ring System ◽  
Dihedral Angles ◽  
Graph Set ◽  
Title Molecule

In the title molecule, C15H12O3, the C atoms bearing the hydroxy group and the phenyl ring are disordered over two sets of sites with refined occupancies of 0.573 (7) and 0.427 (7). There is also disorder of the phenyl ring but the hydroxy group was refined as ordered. The dihedral angles between the benzene ring of the chromane ring system and the phenyl ring are 89.7 (2)° for the major component of disorder and 72.1 (3)° for the minor component. Both disorder components of the the dihydropyran ring are in a half-chair conformation. In the crystal, molecules are linked by pairs of O—H...O hydrogen bonds, forming inversion dimers with anR22(10) graph-set motif. Weak C—H...π interactions link these dimers into ladders along [001].

scholarly journals N′2,N′5-Bis[(E)-2-hydroxybenzylidene]-3,4-dimethylthiophene-2,5-dicarbohydrazide

2012 ◽  
Vol 68 (6) ◽  
pp. o1752-o1752
Author(s):  
Shao-Lin Zhang ◽  
Ling Zhang ◽  
Qin-Mei Wen ◽  
Rong-Xia Geng ◽  
Cheng-He Zhou
Keyword(s):  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Thiophene Ring ◽  
Dihedral Angles ◽  
Benzene Rings ◽  
Title Molecule

In the title molecule, C22H20N4O4S, both C=N bonds are in an E conformation. The benzene rings form dihedral angles of 12.10 (13) and 25.17 (12)° with the thiophene ring. The dihedral angle between the two benzene rings is 17.59 (14)°. There are two intramolecular O—H...N hydrogen bonds. In the crystal, N—H...O hydrogen bonds connect molecules into chains along [010].

scholarly journals Crystal structure of 4-methoxy-N-phenylbenzamide

2014 ◽  
Vol 70 (9) ◽  
pp. o921-o921
Author(s):  
Zhijun Wang ◽  
Haiying Lei ◽  
Linhua Jin ◽  
Ruitao Zhu
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Methoxy Group ◽  
Amide Group ◽  
Dihedral Angles ◽  
Translational Symmetry ◽  
Benzene Rings ◽  
Title Molecule

In the title molecule, C14H13NO2, the dihedral angle between the planes of the benzene rings is 65.18 (4)°. The central amide group has about the same degree of twist with respect to both ring planes, as indicated by the dihedral angles of 34.70 (8) and 30.62 (8)° between its plane and that of the phenyl and 4-methoxybenzene rings, respectively. The C atom of the methoxy group is close to being coplanar with its attached ring [deviation = −0.112 (2) Å]. In the crystal, molecules are linked by inter-amide N—H...O hydrogen bonds, which generateC(4) chains propagating in the [100] direction. Adajcent molecules in the chain are related by translational symmetry.

scholarly journals 2-(2-Chloro-8-methylquinolin-3-yl)-4-phenyl-1,2-dihydroquinazoline

2013 ◽  
Vol 69 (11) ◽  
pp. o1719-o1720
Author(s):  
Chamseddine Derabli ◽  
Raouf Boulcina ◽  
Sofiane Bouacida ◽  
Hocine Merazig ◽  
Abdelmadjid Debache
Keyword(s):  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Title Compound ◽  
Phenyl Ring ◽  
Crystal Packing ◽  
Dihedral Angles ◽  
Compound C ◽  
Centroid Distance ◽  
Benzene Rings ◽  
Phenyl Rings

In the title compound, C24H18ClN3, the dihydroquinazoline and methyl-substituted quinoline benzene rings make a dihedral angle of 78.18 (4)° and form dihedral angles of 45.91 (5) and 79.80 (4)°, respectively, with the phenyl ring. The dihedral angle between the phenyl ring of dihydroquinazoline and the methyl-substituted benzene ring of quinoline is 78.18 (4)°. The crystal packing can be described as crossed layers parallel to the (011) and (0-11) planes. The structure features N—H...N hydrogen bonds and π–π interactions [centroid–centroid distance between phenyl rings = 3.7301 (9) Å].

scholarly journals 2-(5-Bromothiophen-2-yl)-1-phenyl-1H-phenanthro[9,10-d]imidazole

IUCrData ◽  
2017 ◽  
Vol 2 (1) ◽  
Author(s):  
T. Kavitha ◽  
Sivakalai Mayakrishnan ◽  
T. Paramasivam Perumal ◽  
Chandramouleeswaran Suvasini ◽  
Srinivasakannan Lakshmi
Keyword(s):  
Hydrogen Bonds ◽  
Supramolecular Structure ◽  
Phenyl Ring ◽  
Thiophene Ring ◽  
Three Dimensional ◽  
Imidazole Ring ◽  
Dihedral Angles ◽  
Π Interactions ◽  
Benzene Rings ◽  
Title Molecule

In the title molecule, C25H15BrN2S, the phenanthrene system is slightly skewed, with a dihedral angle of 8.94 (16)° between the outer benzene rings. The imidazole ring makes dihedral angles of 15.18 (16), 2.94 (15) and 88.46 (16)°, respectively, with the thiophene ring, the central benzene ring of the phenanthrene unit and the phenyl ring attached to the latter unit. In the molecule, there are two C—H...π interactions present involving the phenyl ring. In the crystal, molecules are linked by C—H...N and C—H...Br hydrogen bonds, forming zigzag chains along theaaxis. The chains are linked by C—H...π interactions, forming a three-dimensional supramolecular structure.

scholarly journals N-(Benzothiazol-2-yl)-3-chlorobenzamide

2009 ◽  
Vol 65 (6) ◽  
pp. o1245-o1245
Author(s):  
M. Khawar Rauf ◽  
Michael Bolte ◽  
Amin Badshah
Keyword(s):  
Solid State ◽  
Hydrogen Bonds ◽  
Bond Length ◽  
Dihedral Angle ◽  
Phenyl Ring ◽  
Dihedral Angles ◽  
Amide Form ◽  
Title Molecule

The title molecule, C14H9ClN2OS, exists in the solid state in its amide form with a typical C=O bond length, as well as shortened C—N bonds. The plane containing the HNCO atoms subtends dihedral angles of 12.3 (4) and 8.1 (3)° with the planes of the phenyl ring and benzothiazole group, respectively, whereas the dihedral angle between the planes of the phenyl ring and the benzothiazole group is 5.96 (6)°. In the crystal, molecules form intermolecular N—H...N hydrogen bonds, generating independent scissor-likeR22(8) dimers.

scholarly journals 2-(Methoxyimino)-2-{2-[(2-methylphenoxy)methyl]phenyl}acetohydrazide

2012 ◽  
Vol 68 (8) ◽  
pp. o2426-o2426 ◽  
Author(s):  
Rajni Kant ◽  
Vivek K. Gupta ◽  
Kamini Kapoor ◽  
Chetan S. Shripanavar ◽  
Kaushik Banerjee
Keyword(s):  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Benzene Rings ◽  
Title Molecule ◽  
Methyl Phenyl

In the title molecule, C17H19N3O3, the dihedral angle between the two benzene rings is 57.17 (5)°. In the crystal, N—H...O and N—H...N hydrogen bonds connect molecules to form chains along [001]. In addition, a weak C—H...π interaction is observed.

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