scholarly journals 4-[(Z)-(n-Butylamino)(phenyl)methylidene]-3-methyl-1-phenyl-1H-pyrazol-5(4H)-one

2012 ◽  
Vol 68 (4) ◽  
pp. o969-o969
Author(s):  
Hai-Wen Wang
Keyword(s):  
Hydrogen Bond ◽  
Dihedral Angle ◽  
Title Compound ◽  
Membered Ring ◽  
Dihedral Angles ◽  
Amino Group ◽  
Keto Form ◽  
Compound C ◽  
Phenyl Rings ◽  
Centrosymmetric Dimers

The title compound, C21H23N3O, exists in an enamine–keto form with the amino group involved in an intramolecular N—H...O hydrogen bond. The dihedral angle between the phenyl rings is 73.59 (6)°. The five-membered ring is nearly planar, the largest deviation being 0.0004 (7) Å, and makes dihedral angles of 4.81 (6) and 69.81 (5)° wth the phenyl rings. In the crystal, pairs of weak C—H...O interactions link the molecules into centrosymmetric dimers.

scholarly journals (4Z)-4-[(2-Chloroanilino)(phenyl)methylidene]-3-methyl-1-phenyl-1H-pyrazol-5(4H)-one

2012 ◽  
Vol 68 (6) ◽  
pp. o1843-o1843
Author(s):  
Li-Ying Xu ◽  
Ning Li ◽  
Jia-Min Li ◽  
Heng-Qiang Zhang ◽  
Zhen-Hai Sun
Keyword(s):  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Membered Ring ◽  
Dihedral Angles ◽  
Amino Group ◽  
Keto Form ◽  
Compound C ◽  
Phenyl Rings ◽  
Supramolecular Chains

The title compound, C23H18ClN3O, exists in an enamine–keto form with the amino group involved in an intramolecular N—H...O hydrogen bond. The five-membered ring is nearly planar, the largest deviation being 0.0004 (7) Å, and makes dihedral angles of 16.62 (6), 41.89 (5) and 71.27 (4)° with the phenyl rings. In the crystal, weak C—H...O hydrogen bonds link the molecules into supramolecular chains along the b axis.

scholarly journals 1-{2-Anilino-4-methyl-5-[5-methyl-1-(4-methylphenyl)-1H-1,2,3-triazole-4-carbonyl]thiophen-3-yl}ethanone

IUCrData ◽  
2018 ◽  
Vol 3 (3) ◽  
Author(s):  
Gamal A. El-Hiti ◽  
Bakr F. Abdel-Wahab ◽  
Rizk E. Khidre ◽  
Mohamed S. Mostafa ◽  
Amany S. Hegazy ◽  
...  
Keyword(s):  
Hydrogen Bond ◽  
Dihedral Angle ◽  
Title Compound ◽  
Dihedral Angles ◽  
Axis Direction ◽  
Π Interactions ◽  
Compound C ◽  
Phenyl Rings

In the title compound, C24H22N4O2S, the dihedral angle between the triazole and thiophene rings is 4.83 (14)°. The dihedral angles between the triazole and tolyl rings and between the thiophene and phenyl rings are 48.42 (16) and 9.23 (13)°, respectively. An intramolecular N—H...O hydrogen bond closes anS(6) loop. In the crystal, molecules are stacked parallel to thea-axis direction with weak π–π interactions between adjacent thiophenyl and triazolyl groups within the stack [centroid–centroid separation = 3.9811 (16) Å].

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 (E)-N′-Hydroxy-1,3-diphenyl-4,5-dihydro-1H-pyrazole-5-carboximidamide

2012 ◽  
Vol 68 (6) ◽  
pp. o1661-o1662 ◽  
Author(s):  
Chandra ◽  
N. Srikantamurthy ◽  
K. B. Umesha ◽  
S. Jeyaseelan ◽  
M. Mahendra
Keyword(s):  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Title Compound ◽  
Pyrazole Ring ◽  
Dihedral Angles ◽  
Compound C ◽  
Benzene Rings ◽  
Phenyl Rings ◽  
A Chain ◽  
Centrosymmetric Dimers

In the molecule of the title compound, C16H16N4O, the pyrazole ring makes dihedral angles of 8.52 (13) and 9.26 (12)° with the phenyl rings. The dihedral angle between the benzene rings is 1.86 (13)°. In the crystal, molecules are linked into centrosymmetric dimers via pairs of O—H...N hydrogen bonds. Weak N—H...N interactions connect the dimers into a chain along the [100] direction. The pyrazole ring adopts a highly flattened envelope conformation.

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.

scholarly journals N′-[(4Z)-1-(3-Methyl-5-oxo-1-phenyl-4,5-dihydro-1H-pyrazol-4-ylidene)hexyl]benzenesulfonohydrazide

2014 ◽  
Vol 70 (6) ◽  
pp. o730-o731 ◽  
Author(s):  
Nkechinyere N. Ukwueze ◽  
Pius O. Ukoha ◽  
Oguejiofo T. Ujam ◽  
Jonnie N. Asegbeloyin ◽  
Tania Groutso
Keyword(s):  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Torsion Angle ◽  
Title Compound ◽  
Tautomeric Form ◽  
Compound C ◽  
Phenyl Rings ◽  
Centrosymmetric Dimers ◽  
N Vector

In the title compound, C22H26N4O3S, the dihedral angle between the pyrazoloneand phenyl rings is 21.73 (4)°. The benzensulfonohydrazide group adopts agaucheconformation about the N—N vector. The C—N—N—S torsion angle is −109.88 (13)°. The molecule exists as the enamine tautomeric form (C=C—NH). An intramolecular N—H...O=C hydrogen bond occurs. In the crystal, molecules are linked by pairs of N—H...O=C hydrogen bonds, forming centrosymmetric dimers.

scholarly journals 2-[1-(4-tert-Butylphenyl)-4,5-diphenyl-1H-imidazol-2-yl]-4,6-dichlorophenol

IUCrData ◽  
2020 ◽  
Vol 5 (7) ◽  
Author(s):  
K. N. Shraddha ◽  
Noor Shahina Begum
Keyword(s):  
Hydrogen Bond ◽  
Dihedral Angle ◽  
Title Compound ◽  
Imidazole Ring ◽  
Dihedral Angles ◽  
Methyl Groups ◽  
Compound C ◽  
Phenyl Rings

In the title compound, C31H26Cl2N2O, the 4,6-dichlorophenol and the imidazole rings are almost coplanar, with a dihedral angle of 8.89 (6)° between them and an intramolecular O—H...N hydrogen bond occurs between the rings. The dihedral angles subtended by the tert-butylphenyl ring and the two phenyl rings with the imidazole ring are 85.18 (9), 81.22 (9) and 19.00 (8)°, respectively. The methyl groups of the tert-butyl grouping are disordered over two sets of sites in 0.589 (5):0.411 (5) ratio. In the crystal, inversion dimers linked by pairs of weak C—H...Cl interactions generate R 2 2(24) loops.

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)-4-n-Butyl-2-(4-chlorobenzylidene)-2H-1,4-benzothiazin-3(4H)-one

IUCrData ◽  
2017 ◽  
Vol 2 (6) ◽  
Author(s):  
Mohamed Ellouz ◽  
Nada Kheira Sebbar ◽  
Younes Ouzidan ◽  
Manpreet Kaur ◽  
El Mokhtar Essassi ◽  
...  
Keyword(s):  
Hydrogen Bond ◽  
Dihedral Angle ◽  
Intermolecular Interactions ◽  
Title Compound ◽  
Crystal Packing ◽  
Boat Conformation ◽  
Compound C ◽  
Phenyl Rings

In the title compound, C19H18ClNOS, the thiazin-3-one ring adopts a slightly distorted screw-boat conformation. An intramolecular C—H...S hydrogen bond encloses anS(6) ring and affects the overall conformation of the molecule. The dihedral angle between the two phenyl rings is 52.3 (2)°. In the crystal, weak C—H...O intermolecular interactions stabilize the crystal packing.

scholarly journals Crystal structure analysis of ethyl 6-(4-methoxyphenyl)-1-methyl-4-methylsulfanyl-3-phenyl-1H-pyrazolo[3,4-b]pyridine-5-carboxylate

2020 ◽  
Vol 76 (8) ◽  
pp. 1209-1212
Author(s):  
H. Surya Prakash Rao ◽  
Ramalingam Gunasundari ◽  
Jayaraman Muthukumaran
Keyword(s):  
Crystal Structure ◽  
Dihedral Angle ◽  
Structure Analysis ◽  
Title Compound ◽  
Crystal Packing ◽  
Crystal Structure Analysis ◽  
Dihedral Angles ◽  
Pyridine Moiety ◽  
Compound C ◽  
Phenyl Rings

In the title compound, C24H23N3O3S, the dihedral angle between the fused pyrazole and pyridine rings is 1.76 (7)°. The benzene and methoxy phenyl rings make dihedral angles of 44.8 (5) and 63.86 (5)°, respectively, with the pyrazolo[3,4-b] pyridine moiety. An intramolecular short S...O contact [3.215 (2) Å] is observed. The crystal packing features C—H...π interactions.

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