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 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 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 (Z)-2-(4-Methoxyanilino)-1,4-diphenylbut-2-ene-1,4-dione

IUCrData ◽  
2017 ◽  
Vol 2 (2) ◽  
Author(s):  
A. J. Ravi ◽  
M. Vinduvahini ◽  
A. C. Vinayaka ◽  
M. P. Sadashiva ◽  
H. C. Devarajegowda
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Dihedral Angles ◽  
Compound C ◽  
Phenyl Rings ◽  
The Mean

In the molecule of the title compound, C23H19NO3, the mean plane of the methoxyphenyl ring makes dihedral angles of 51.63 (8) and 50.86 (8)° with the terminal phenyl rings. An intramolecular N—H...O hydrogen bond occurs. The crystal structure features C—H...O hydrogen bonds.

scholarly journals 2,3,5-Triphenyl-2H-tetrazol-3-ium bromide ethanol monosolvate

2012 ◽  
Vol 68 (8) ◽  
pp. o2566-o2566
Author(s):  
Hoong-Kun Fun ◽  
Tze Shyang Chia ◽  
Gamal A. E. Mostafa ◽  
Mohamed M. Hefnawy ◽  
Hatem A. Abdel-Aziz
Keyword(s):  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Solvent Molecule ◽  
Infinite Chain ◽  
Tetrazole Ring ◽  
Dihedral Angles ◽  
Component Ratio ◽  
Compound C ◽  
Phenyl Rings

In the title compound, C19H15N4+·Br−·C2H5OH, the tetrazole ring makes dihedral angles of 57.44 (9), 50.92 (9) and 4.65 (8)° with the attached phenyl rings. In the crystal, the cation and the anion are linked to each other by intermolecular C—H...Br hydrogen bonds into an infinite chain along thebaxis. The anion and the ethanol solvent molecule are linked by an O—H...Br hydrogen bond. The crystal studied was an inversion twin with a refined component ratio of 0.632 (5):0.368 (5).

scholarly journals Methyl 4-amino-2-chloropyrimidine-5-carboxylate

2014 ◽  
Vol 70 (8) ◽  
pp. o869-o869
Author(s):  
Ya-Ming Wu
Keyword(s):  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Carbonyl Group ◽  
Title Compound ◽  
Maximum Deviation ◽  
Amino Group ◽  
Compound C ◽  
Supramolecular Chains

In the title compound, C6H6ClN3O2, all non-H atoms are approximately coplanar [maximum deviation = 0.012 (4) Å]; an intramolecular N—H...O hydrogen bond occurs between the amino group and the carbonyl group. In the crystal, molecules are linked by N—H...N hydrogen bonds into supramolecular chains propagated along [101].

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

2012 ◽  
Vol 68 (6) ◽  
pp. o1909-o1910 ◽  
Author(s):  
Keraghel Saida ◽  
Benghanem Fatiha ◽  
Dehbi Ouarda ◽  
Ourari Ali ◽  
Ouari Kamel ◽  
...  
Keyword(s):  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Dihedral Angles ◽  
Keto Form ◽  
Compound C ◽  
Benzene Rings

In the title compound, C23H19N3O2, the dihedral angles formed by the pyrazolone ring with the three benzene rings are 30.91 (6), 60.96 (4) and 57.01 (4)°. The ligand is in the enamine–keto form and its structure is stabilized by an intramolecular N—H...O hydrogen bond. In the crystal, O—H...N hydrogen bonds link molecules into chains parallel to [01-1].

scholarly journals N′-[(E)-Furan-2-ylmethylidene]-4-hydroxybenzohydrazide

2014 ◽  
Vol 70 (3) ◽  
pp. o242-o242 ◽  
Author(s):  
Riya Datta ◽  
V. Ramya ◽  
M. Sithambaresan ◽  
M. R. Prathapachandra Kurup
Keyword(s):  
Hydrogen Bonds ◽  
Title Compound ◽  
Crystal Packing ◽  
Three Dimensional ◽  
Membered Ring ◽  
Dihedral Angles ◽  
Supramolecular Network ◽  
Compound C ◽  
Phenyl Rings

The title compound, C12H10N2O3, exists in theEconformation. The five-membered ring and the phenyl rings form dihedral angles of 36.73 (10) and 12.22 (10)°, respectively, with the central C(=O)N2C unit. The crystal packing is dominated by strong N—H...O and O—H...N hydrogen bonds. Together with weaker C—H...O interactions, these establish a three-dimensional supramolecular network.

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 4β-Hydroxy-12,13-epoxytrichothec-9-ene

2012 ◽  
Vol 68 (4) ◽  
pp. o1195-o1195
Author(s):  
Bi-Zeng Mao ◽  
Chao Huang ◽  
Yu-Zhe Chen ◽  
Zhen-Er Lv ◽  
Shao-Yuan Chen
Keyword(s):  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Epoxy Group ◽  
Membered Ring ◽  
Asymmetric Unit ◽  
Envelope Conformation ◽  
Compound C ◽  
Independent Molecules ◽  
Supramolecular Chains

The asymmetric unit in the crystal of the title compound, C15H22O3, contains two independent molecules with similar structures. Each molecule contains two six-membered rings and one five-membered ring. The five-membered ring displays an envelope conformation with the C atom linking the epoxy group as the flap, while the two six-membered rings show half-chair conformations. The two independent molecules are linked by an O—H...O hydrogen bond. These dimers are further linked by O—H...O hydrogen bonds, forming supramolecular chains running along theaaxis.

scholarly journals Diethyl (1-benzyl-4-phenyl-3-trifluoromethyl-1H-pyrrol-2-yl)phosphonate

IUCrData ◽  
2017 ◽  
Vol 2 (8) ◽  
Author(s):  
Anna Jezuita ◽  
Dariusz Cal ◽  
Piotr Zagórski ◽  
Krzysztof Ejsmont ◽  
Bartosz Zarychta
Keyword(s):  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Pyrrole Ring ◽  
Dihedral Angles ◽  
Torsion Angles ◽  
Compound C ◽  
Phenyl Rings ◽  
Ethyl Phosphate ◽  
Phosphate Groups

In the title compound, C22H23F3NO3P, the dihedral angles between the pyrrole ring and the benzyl and phenyl rings are 81.38 (7) and 46.21 (8)°, respectively. The ethyl phosphate groups present with P—O—C—C torsion angles of −178.47 (10) and 106.72 (16)°, and an intramolecular C—H...O hydrogen bond occurs. In the extended structure, molecules are linked by C—H...O and C—H...F hydrogen bonds to generate [001] chains.

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