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 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 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-[(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.

scholarly journals N-(4-Chlorophenyl)-2,2-diphenylacetamide

2012 ◽  
Vol 68 (8) ◽  
pp. o2556-o2557
Author(s):  
Hoong-Kun Fun ◽  
Wan-Sin Loh ◽  
Prakash S Nayak ◽  
B. Narayana ◽  
B. K. Sarojini
Keyword(s):  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Benzene Ring ◽  
Dihedral Angle ◽  
Title Compound ◽  
Crystal Packing ◽  
Dihedral Angles ◽  
Compound C ◽  
Benzene Rings ◽  
Ring Motif

In the title compound, C20H16ClNO, anS(6) ring motif is formedviaan intramolecular C—H...O hydrogen bond. The chloro-substituted benzene ring is almost perpendicular to the benzene rings, forming dihedral angles of 87.33 (9) and 88.69 (9)°. The dihedral angle between the benzene rings is 87.17 (9)°. In the crystal, molecules are linked into chains parallel to thecaxis by intermolecular N—H...O hydrogen bonds. The crystal packing also features weak C—H...π interactions involving the chloro-substituted ring.

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 (N′,N′′Z,N′,N′′E)-N′,N′′-[1-(4-Chlorophenyl)ethane-1,2-diylidene]bis(3-methyl-1-benzofuran-2-carbohydrazide)

2012 ◽  
Vol 68 (8) ◽  
pp. o2405-o2406
Author(s):  
Hoong-Kun Fun ◽  
Tze Shyang Chia ◽  
Ahmed M. Alafeefy ◽  
Hatem A. Abdel-Aziz
Keyword(s):  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Benzene Ring ◽  
Dihedral Angle ◽  
Title Compound ◽  
Dihedral Angles ◽  
Ring Systems ◽  
Π Interactions ◽  
Compound C ◽  
Ring Motif

In the title compound, C28H21ClN4O4, the benzofuran ring systems make dihedral angles of 7.43 (8) and 30.92 (9)° with the chloro-substituted benzene ring. The dihedral angle between the two benzofuran ring systems is 27.41 (7)°. The two benzofuran rings are connected to the chloro-substituted benzene ring through C—N—N=C and C—N—N=C—C bridges which are nearly planar [maximum deviations = 0.003 (1) and 0.037 (1) Å]. An intramolecular N—H...N hydrogen bond generates anS(6) ring motif. In the crystal, molecules are linked by N—H...(O,N) and C—H...O hydrogen bonds into a tape along thecaxis and these tapes are further connected by another weak C—H...O hydrogen bond into a sheet parallel to thebcplane. π–π interactions [centroid-to-centroid distances = 3.4845 (12)–3.6250 (13) Å] are also observed.

scholarly journals N-[2-(Benzylideneamino)phenyl]-N′-phenylurea

IUCrData ◽  
2017 ◽  
Vol 2 (10) ◽  
Author(s):  
Zeliha Atioğlu ◽  
Sümeyye Buran ◽  
Dilem Doğan ◽  
Zülbiye Kökbudak ◽  
Muhittin Aygün ◽  
...  
Keyword(s):  
Hydrogen Bonds ◽  
Benzene Ring ◽  
Dihedral Angle ◽  
Title Compound ◽  
Dihedral Angles ◽  
Compound C ◽  
Two Component ◽  
Phenyl Rings ◽  
Supramolecular Chains ◽  
Ring Motif

In the title compound, C20H17N3O [systematic name: 1-phenyl-3-{2-[(E)- (phenylmethylidene)amino]phenyl}urea], the middle benzene ring forms dihedral angles of 17.65 (17) and 29.48 (14)°, respectively, with the N- and C-bound phenyl rings, while the dihedral angle between the terminal rings is 46.53 (18)°. In the crystal, molecules are linkedviaN—H...O hydrogen bonds, forming helical supramolecular chains running parallel to thecaxisviaanR12(6) ring motif. The structure was refined as a two-component twin with a 0.966 (3):0.034 (3) domain ratio.

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 Ethyl 4-anilino-2-methyl-5-oxo-1-phenyl-2,5-dihydro-1H-pyrrole-2-carboxylate

2013 ◽  
Vol 69 (12) ◽  
pp. o1757-o1758 ◽  
Author(s):  
Mehmet Akkurt ◽  
Shaaban K. Mohamed ◽  
Mahmoud A. A. Elremaily ◽  
Francisco Santoyo-Gonzalez ◽  
Mustafa R. Albayati
Keyword(s):  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Phenyl Ring ◽  
Pyrrole Ring ◽  
Dihedral Angles ◽  
Π Interactions ◽  
Compound C ◽  
Ring Motif

In the title compound, C20H20N2O3, the central 2,5-dihydro-1H-pyrrole ring [r.m.s. deviation = 0.014 (1) Å] is oriented at dihedral angles of 77.81 (6) and 25.33 (6)°, respectively, to the attached phenyl ring and the aniline phenyl ring. An intramolecular N—H...O hydrogen bond occurs. In the crystal, molecules are linked through pairs of N—H...O hydrogen bonds, forming inversion dimers with anR22(10) ring motif. Two weak C—H...π interactions are also observed.

scholarly journals 2-Phenyl-N′-(2-phenylacetyl)acetohydrazide

2012 ◽  
Vol 68 (6) ◽  
pp. o1680-o1680
Author(s):  
Hatem A. Abdel-Aziz ◽  
Ching Kheng Quah ◽  
Hoong-Kun Fun
Keyword(s):  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Title Compound ◽  
The Other ◽  
Dihedral Angles ◽  
Compound C ◽  
Phenyl Rings

In the title compound, C16H16N2O2, the N′-acetylacetohydrazide group is approximately planar (r.m.s. deviation = 0.018 Å for the eight non-H atoms) and makes dihedral angles of 81.92 (6) and 65.19 (6)° with the terminal phenyl rings. The phenyl rings form a dihedral angle of 62.60 (7)°. In the crystal, molecules are linked into sheets lying parallel to (001) by N—H...O and C—H...O hydrogen bonds. One O atom accepts one N—H...O and one C—H...O hydrogen bond and the other O atom accepts one N—H...O and two C—H...O hydrogen bonds. The N—H...O hydrogen bonds lead to R 2 2(8) loops and the C—H...O hydrogen bonds generate R 2 1(6) loops.

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