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.

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 N-[4-(4-Chlorobenzenesulfonamido)phenylsulfonyl]acetamide

2012 ◽  
Vol 68 (6) ◽  
pp. o1913-o1913
Author(s):  
Islam Ullah Khan ◽  
Ejaz ◽  
Sidra Farid ◽  
William T. A. Harrison
Keyword(s):  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Benzene Ring ◽  
Title Compound ◽  
Dihedral Angles ◽  
Torsion Angles ◽  
Compound C ◽  
Acetyl Group

In the title compound, C14H13ClN2O5S2, the dihedral angles between the central benzene ring and the pendant chlorobenzene ring and the N-acetyl group are 82.35 (5) and 79.71 (6)°, respectively, and the overall conformation of the molecule approximates to a U shape. Both the C—S—N—C conformations are gauche, but with opposite senses [torsion angles = −59.29 (15) and 63.68 (16)°]. An intramolecular C—H...O interaction generates an S(6) ring. In the crystal, inversion dimers linked by pairs of N—H...O hydrogen bonds generate R 2 2(20) loops. A second N—H...O hydrogen bond links the dimers into (101) layers.

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 Ethyl 4-(4-chloroanilino)-1-(4-chlorophenyl)-2-methyl-5-oxo-2,5-dihydro-1H-pyrrole-2-carboxylate

2013 ◽  
Vol 69 (12) ◽  
pp. o1761-o1762 ◽  
Author(s):  
Mehmet Akkurt ◽  
Shaaban K. Mohamed ◽  
Mahmoud A.A. Elremaily ◽  
Francisco Santoyo-Gonzalez ◽  
Mustafa R. Albayati
Keyword(s):  
Hydrogen Bonds ◽  
Title Compound ◽  
Pyrrole Ring ◽  
Dihedral Angles ◽  
Compound C ◽  
Phenyl Rings ◽  
Ring Motif

In the title compound, C20H18Cl2N2O3, the dihedral angles between the central 2,5-dihydro-1H-pyrrole ring and the phenyl rings are 74.87 (9) and 29.09 (9)°. Intramolecular N—H...O and C—H...O hydrogen bonds occur. In the crystal, pairs of N—H...O hydrogen bonds link adjacent molecules into inversion dimers and form anR12(6)R22(10)R12(6) ring motif through 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 (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 N′-Benzoyl-5-methyl-1,3-diphenyl-1H-pyrazole-4-carbohydrazide

2013 ◽  
Vol 69 (12) ◽  
pp. o1769-o1769 ◽  
Author(s):  
Chandra ◽  
N. Srikantamurthy ◽  
Shamantha Kumar ◽  
B. H. Doreswamy ◽  
K. B. Umesha ◽  
...  
Keyword(s):  
Hydrogen Bonds ◽  
Torsion Angle ◽  
Title Compound ◽  
Pyrazole Ring ◽  
Dihedral Angles ◽  
Carbonyl Groups ◽  
Torsion Angles ◽  
Axis Direction ◽  
Compound C ◽  
Phenyl Rings

In the title compound, C24H20N4O2, the pyrazole ring makes dihedral angles of 47.57 (10)° and 30.56 (11)° with its N-bound and C-bound phenyl groups, respectively. The C—N—N—C group that links the two carbonyls has a torsion angle of 81.5 (2)°. The torsion angles between the carbonyl groups and their adjacent pyrazole and phenyl rings are 125.89 (19) and 164.22 (17)°, respectively. In the crystal, pairs of molecules are linked by N—H...O hydrogen bonds intoR22(10) ring motifs, which in turn link to form chains that propagate parallel to 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.

scholarly journals 4-Fluoro-N-(4-hydroxybenzylidene)aniline

2014 ◽  
Vol 70 (8) ◽  
pp. o860-o860
Author(s):  
L. Jothi ◽  
G. Anuradha ◽  
G. Vasuki ◽  
R. Ramesh Babu ◽  
K. Ramamurthi
Keyword(s):  
Hydrogen Bonds ◽  
Benzene Ring ◽  
Schiff Bases ◽  
Title Compound ◽  
Three Dimensional ◽  
Dihedral Angles ◽  
Axis Direction ◽  
Compound C ◽  
Dimensional Network ◽  
Phenyl Rings

In the title compound, C13H10FNO, the benzene ring planes are inclined at an angle of 50.52 (8)°. A characteristic of aromatic Schiff bases withN-aryl substituents is that the terminal phenyl rings are twisted relative to the plane of the HC=N link between them. In this case, the HC=N unit makes dihedral angles of 10.6 (2) and 40.5 (2)° with the hydroxybenzene and flurobenzene rings, respectively. In the crystal, O—H...N and C—H...F hydrogen bonds lead to the formation of chains along thec-andb-axis directions, respectively. C—H...π contacts link molecules alongaand these contacts combine to generate a three-dimensional network with molecules stacked along theb-axis direction.

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