scholarly journals 1-(2,4-Dichlorophenyl)-5-(2-nitroanilino)-1H-pyrazole-4-carbonitrile

2012 ◽  
Vol 68 (4) ◽  
pp. o1142-o1142 ◽  
Author(s):  
Ju Liu ◽  
Zhi-Qiang Cai ◽  
Yang Wang ◽  
Chun-Yan Li ◽  
Li-Feng Xu
Keyword(s):  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Nitro Group ◽  
Dihedral Angle ◽  
Title Compound ◽  
Molecular Conformation ◽  
Crystal Packing ◽  
Amide Group ◽  
Compound C ◽  
Benzene Rings

In the title compound, C16H9Cl2N5O2, the folded molecular conformation is characterized by a dihedral angle between the two benzene rings of 74.03 (5)°. An intramolecular N—H...O hydrogen bond is observed between the H atom of the amide group and a nitro-group O atom. Intermolecular C—H...O and N—H...N hydrogen bonds feature in the crystal packing.

scholarly journals (E)-2-(4-Benzyloxy-2-hydroxybenzylidene)-N-methylhydrazinecarbothioamide

2014 ◽  
Vol 70 (2) ◽  
pp. o112-o113
Author(s):  
N. R. Sajitha ◽  
M. Sithambaresan ◽  
M. R. Prathapachandra Kurup
Keyword(s):  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Least Squares ◽  
Benzene Ring ◽  
Dihedral Angle ◽  
Title Compound ◽  
Molecular Conformation ◽  
Crystal Packing ◽  
Compound C ◽  
Benzene Rings

The molecule of the title compound, C16H17N3O2S, adopts anEconformation with respect to the azomethine C=N bond. The hydrazinecarbothioamide fragment is close to planar, with a largest deviation from the least-squares plane of 0.079 (2) Å for the hydrazide N atom. This fragment forms a dihedral angle of 9.43 (9)° with the central benzene ring. The benzene rings are inclined to one another by 67.55 (12)°. The molecular conformation is stabilized by an intramolecular O—H...N hydrogen bond involving the azomethine N atom. In the crystal, molecules are linked through weak N—H...S and N—H...O hydrogen bonds into double ribbons along [010]. The crystal packing also features C—H...π interactions.

scholarly journals 2-(2,3-Dimethylanilino)benzohydrazide

2012 ◽  
Vol 68 (8) ◽  
pp. o2527-o2528 ◽  
Author(s):  
Hoong-Kun Fun ◽  
Tze Shyang Chia ◽  
Tilal Elsaman ◽  
Mohamed I. Attia ◽  
Hatem A. Abdel-Aziz
Keyword(s):  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Benzene Ring ◽  
Dihedral Angle ◽  
Title Compound ◽  
Crystal Packing ◽  
Compound C ◽  
Benzene Rings ◽  
Common Plane ◽  
Ring Motif

In the title compound, C15H17N3O, the dihedral angle between the benzene rings is 58.05 (9)°. The non-H atoms of the hydrazide group lie in a common plane (r.m.s. deviation = 0.0006 Å) and are close to coplanar with their attached benzene ring [dihedral angle = 8.02 (9)°]. An intramolecular N—H...O hydrogen bond generates anS(6) ring motif in the molecule, and a short intramolecular contact (H...H = 1.88 Å) is also observed. In the crystal, molecules are linked by pairs of N—H...N hydrogen bonds into inversion dimers. The crystal packing also features C—H...π interactions.

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-Fluoro-5-nitroaniline

IUCrData ◽  
2018 ◽  
Vol 3 (3) ◽  
Author(s):  
K. Moorthy ◽  
M. NizamMohideen ◽  
S. Vetrivel ◽  
E. Vinoth ◽  
A. Arun
Keyword(s):  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Nitro Group ◽  
Benzene Ring ◽  
Dihedral Angle ◽  
Title Compound ◽  
Crystal Packing ◽  
Compound C

In the title compound, C6H5FN2O2, the dihedral angle between the nitro group and the benzene ring is 3.68 (2)°, and an intramolecular N—H...F hydrogen bond is observed. The crystal packing is consolidated by C—H...O and N—H...O hydrogen bonds; together, these generate [110] double chains.

(S)-1,1-Dimethyl-N-[(S)-1-phenyl-3-(phenylsulfonyl)but-3-enyl]ethane-2-sulfinamide

2007 ◽  
Vol 63 (11) ◽  
pp. o4221-o4221
Author(s):  
Dan Zhan ◽  
Zuo-An Xiao ◽  
Hua-Jun Liu ◽  
Xiao-Peng Shi
Keyword(s):  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Absolute Configuration ◽  
Title Compound ◽  
Molecular Conformation ◽  
Crystal Packing ◽  
Dichloromethane Solution ◽  
Compound C ◽  
Synthetic Procedure ◽  
Benzene Rings

The title compound, C20H25NO3S2, was obtained by the reaction of (S)-2-methyl-N-[(S)-1-phenyl-3-(phenylthio)but-3-enyl]propane-2-sulfinamide with 3-chloroperoxybenzoic acid (mCPBA) in dichloromethane solution. The absolute configuration was assigned by reference to the unchanging chiral centre in the synthetic procedure. The dihedral angle between the two benzene rings is 73.3 (2)°. The molecular conformation is likely influenced in part by intramolecular C—H...O hydrogen bonds, while the crystal packing is stabilized by intermolecular N—H...O hydrogen bonds and C—H...π interactions.

scholarly journals N-(3-{[(Z)-(3-Hydroxy-4-methylphenyl)imino]methyl}pyridin-2-yl)pivalamide

IUCrData ◽  
2016 ◽  
Vol 1 (3) ◽  
Author(s):  
Şehriman Atalay ◽  
Semra Gerçeker ◽  
Hande Eserci ◽  
Erbil Ağar
Keyword(s):  
Molecular Structure ◽  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Title Compound ◽  
Molecular Conformation ◽  
Compound C ◽  
Butyl Group ◽  
Benzene Rings

The molecular structure of the title compound, C18H21N3O2, contains pivalamide, pyridin and hydroxy-methylphenyl moieties. The whole molecule is not planar, the dihedral angle between the benzene rings being 34.84 (7)°. The molecular conformation is stabilized by an intramolecular N—H...N hydrogen bond. In the crystal, molecules are linked by O—H...O, O—H...N and C—H...O hydrogen bonds. The C and H atoms of thetert-butyl group disordered over two sets of sites with an occupancy ratio of 0.692 (5):0.308 (5).

scholarly journals N′-(3-Hydroxybenzylidene)-4-methylbenzohydrazide

2012 ◽  
Vol 68 (6) ◽  
pp. o1816-o1816
Author(s):  
Ji-Lai Liu ◽  
Ming-Hui Sun ◽  
Jing-Jun Ma
Keyword(s):  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Title Compound ◽  
Crystal Packing ◽  
Aromatic Rings ◽  
Π Interactions ◽  
Compound C ◽  
Centroid Distance ◽  
Benzene Rings

The title compound, C15H14N2O2, was obtained from the reaction of 3-hydroxybenzaldhyde and 4-methylbenzohydrazide in methanol. In the molecule, the benzene rings form a dihedral angle of 2.9 (3)°. In the crystal, N—H...O and O—H...O hydrogen bonds link the molecules into layers parallel to (101). The crystal packing also exhibits π–π interactions between the aromatic rings [centroid–centroid distance = 3.686 (4) Å].

scholarly journals (E)-N-{3-[(m-Tolylimino)methyl]pyridin-2-yl}pivalamide

IUCrData ◽  
2017 ◽  
Vol 2 (11) ◽  
Author(s):  
Şehriman Atalay ◽  
Semra Gerçeker ◽  
Seher Meral
Keyword(s):  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Torsion Angle ◽  
Title Compound ◽  
Methyl Groups ◽  
Compound C ◽  
Benzene Rings

In the title compound, C18H21N3O, the dihedral angle between the pyridine and benzene rings is 30.53 (7)° and the C—C=N—C torsion angle is −170.6 (2)°. An intramolecular N—H...N hydrogen bond generates anS(6) ring. In the crystal, very weak C—H...O hydrogen bonds link the molecules intoC(8) [101] chains. Thetert-butyl methyl groups are disordered over two sets of sites in a 0.783 (4):0.217 (4) ratio.

scholarly journals Crystal stucture of methyl 2-({[2-(methoxycarbonyl)phenyl]carbamoyl}amino)benzoate

2015 ◽  
Vol 71 (5) ◽  
pp. o297-o298 ◽  
Author(s):  
Hasna Yassine ◽  
Mostafa Khouili ◽  
Lahcen El Ammari ◽  
Mohamed Saadi ◽  
El Mostafa Ketatni
Keyword(s):  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Title Compound ◽  
Molecular Conformation ◽  
Dihedral Angles ◽  
Aromatic Rings ◽  
Compound C ◽  
Benzene Rings

In the title compound, C17H16N2O5, the dihedral angles between the central urea [N—C(=O)—N] fragment and its attached benzene rings are 20.20 (14) and 24.24 (13)°; the dihedral angle between the aromatic rings is 42.1 (1)°. The molecular conformation is consolidated by two intramolecular N—H...O hydrogen bonds, which both generateS(6) rings. In the crystal, inversion dimers linked by pairs of C—H...O interactions generateR22(14) loops. The dimers are linked by further C—H...O interactions into (011) sheets.

scholarly journals 4-Formyl-2-nitrophenyl 2-chlorobenzoate

2013 ◽  
Vol 69 (12) ◽  
pp. o1806-o1806 ◽  
Author(s):  
Rodolfo Moreno-Fuquen ◽  
Geraldine Hernandez ◽  
Javier Ellena ◽  
Carlos A. De Simone ◽  
Juan C. Tenorio
Keyword(s):  
Hydrogen Bonds ◽  
Nitro Group ◽  
Benzene Ring ◽  
Dihedral Angle ◽  
Title Compound ◽  
Ester Group ◽  
Dihedral Angles ◽  
Compound C ◽  
Benzene Rings ◽  
The Mean

In the title compound, C14H8ClNO5, the benzene rings form a dihedral angle of 19.55 (9)°. The mean plane of the central ester group [r.m.s. deviation = 0.024 Å] forms dihedral angles of 53.28 (13) and 36.93 (16)°, respectively, with the nitro- and chloro-substituted rings. The nitro group forms a dihedral angle of 19.24 (19)° with the benzene ring to which it is attached. In the crystal, molecules are linked by weak C—H...O hydrogen bonds, formingC(7) chains, which run along [100].

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