2-[1-(3-Aminophenyl)ethylidene]propanedinitrile

2007 ◽  
Vol 63 (11) ◽  
pp. o4316-o4316
Author(s):  
Qingfang Cheng ◽  
Xingyou Xu ◽  
Changyong Zong ◽  
Huiling Feng
Keyword(s):  
Hydrogen Bond ◽  
Title Compound ◽  
Crystal Packing ◽  
Amino Groups ◽  
Bond Lengths ◽  
Hydrogen Bond Interactions ◽  
Compound C ◽  
Cyano Groups

In the title compound, C11H9N3, all bond lengths and angles are normal. The crystal packing is stabilized by intermolecular N—H...N hydrogen-bond interactions involving the H atoms of the amino groups and N atoms of the cyano groups.

3,5-Difluorobenzohydrazide

2007 ◽  
Vol 63 (3) ◽  
pp. o1176-o1177 ◽  
Author(s):  
Ghulam Qadeer ◽  
Nasim Hasan Rama ◽  
Muhammad Zareef ◽  
Wai-Yeung Wong
Keyword(s):  
Hydrogen Bond ◽  
Benzene Ring ◽  
Title Compound ◽  
Heterocyclic Compounds ◽  
Crystal Packing ◽  
Biologically Active ◽  
Hydrogen Bond Interactions ◽  
Compound C ◽  
Important Intermediate

The title compound, C7H6F2N2O, is an important intermediate for the synthesis of biologically active heterocyclic compounds. The hydrazide group is nearly coplanar with the benzene ring. The crystal packing is stabilized by N—H...O and N—H...N hydrogen-bond interactions.

scholarly journals (E)-3-{[(2-Bromo-3-methylphenyl)imino]methyl}benzene-1,2-diol: crystal structure and Hirshfeld surface analysis

2019 ◽  
Vol 75 (12) ◽  
pp. 1930-1933
Author(s):  
Onur Erman Doğan ◽  
Necmi Dege ◽  
Erbil Ağar ◽  
Igor O. Fritsky
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Title Compound ◽  
Crystal Packing ◽  
Condensation Reaction ◽  
Hirshfeld Surface ◽  
Triclinic Space Group ◽  
Hydrogen Bond Interactions ◽  
Compound C ◽  
Methyl Benzene

The title compound, C14H12BrNO2, was synthesized by the condensation reaction of 2,3-dihydroxybenzaldehyde and 2-bromo-3-methylaniline. It crystallizes in the centrosymmetric triclinic space group P\overline{1}. The configuration about the C=N bond is E. The dihedral angle between the planes of the 5-(2-bromo-3-methylphenyl ring and the catechol ring is 2.80 (17)°. In the crystal, O—H...O hydrogen-bond interactions consolidate the crystal packing.

scholarly journals N-Methyl-2-(1-methyl-3-phenylprop-2-en-1-ylidene)hydrazinecarbothioamide

2014 ◽  
Vol 70 (7) ◽  
pp. o800-o800 ◽  
Author(s):  
Fillipe Vieira Rocha ◽  
Adelino Vieira de Godoy Netto ◽  
Johannes Beck ◽  
Jörg Daniels ◽  
Adriano Bof de Oliveira
Keyword(s):  
Hydrogen Bond ◽  
Torsion Angle ◽  
Title Compound ◽  
Crystal Packing ◽  
Maximum Deviation ◽  
Hydrogen Bond Interaction ◽  
Hydrogen Bond Interactions ◽  
Compound C ◽  
The Mean ◽  
Centrosymmetric Dimers

In the title compound, C12H15N3S, the molecule deviates slightly from planarity, with a maximum deviation from the mean plane of the non-H atoms of 0.2756 (6) Å for the S atom and a torsion angle for the N—N—C—N fragment of −7.04 (16)°. In the crystal, molecules are linked by N—H...S hydrogen-bond interactions, forming centrosymmetric dimers. Additionally, one weak intramolecular N—H...N hydrogen-bond interaction is observed. The crystal packing shows a herringbone arrangement viewed along thecaxis.

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 of 4-{[(1H-1,2,4-triazol-1-yl)methyl]sulfanyl}phenol

2014 ◽  
Vol 70 (10) ◽  
pp. o1106-o1106
Author(s):  
Yong-Le Zhang ◽  
Chuang Zhang ◽  
Wei Guo ◽  
Jing Wang
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Benzene Ring ◽  
Title Compound ◽  
Three Dimensional ◽  
Triazole Ring ◽  
Hydrogen Bond Interactions ◽  
Compound C ◽  
Dimensional Network

In the title compound, C9H9N3OS, the plane of the benzene ring forms a dihedral angle of 33.40 (5)° with that of the triazole group. In the crystal, molecules are linked by O—H...N hydrogen bonds involving the phenol –OH group and one of the unsubstituted N atoms of the triazole ring, resulting in chains along [010]. These chains are further extended into a layer parallel to (001) by weak C—H...N hydrogen-bond interactions. Aromatic π–π stacking [centroid–centroid separation = 3.556 (1) Å] between the triazole rings links the layers into a three-dimensional network.

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 (2Z)-2-{[N-(2-Formylphenyl)-4-methylbenzenesulfonamido]methyl}-3-(4-methylphenyl)prop-2-enenitrile

2012 ◽  
Vol 68 (4) ◽  
pp. o1084-o1084
Author(s):  
D. Kannan ◽  
M. Bakthadoss ◽  
R. Madhanraj ◽  
S. Murugavel
Keyword(s):  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Benzene Ring ◽  
Title Compound ◽  
Molecular Conformation ◽  
Crystal Packing ◽  
Dihedral Angles ◽  
Compound C ◽  
Centroid Distance ◽  
Ring Motif

In the title compound, C25H22N2O3S, the sulfonyl-bound benzene ring forms dihedral angles of 36.8 (2) and 81.4 (2)°, respectively, with the formylbenzene and methylbenzene rings. The molecular conformation is stabilized by an intramolecular C—H...O hydrogen bond, which generates anS(5) ring motif. The crystal packing is stabilized by C—H...O hydrogen bonds, which generateC(11) chains along thebaxis. The crystal packing is further stabilized by π–π interactions [centroid–centroid distance = 3.927 (2) Å].

[3-(2-Chlorophenyl)-1,2,4-oxadiazol-5-yl]methanol

2006 ◽  
Vol 62 (7) ◽  
pp. o3007-o3008 ◽  
Author(s):  
Xiao-Chen Yan ◽  
Hai-Bo Wang ◽  
Zhi-Qian Liu
Keyword(s):  
Hydrogen Bond ◽  
Title Compound ◽  
Inversion Center ◽  
Hydrogen Bond Interactions ◽  
Compound C

In the title compound, C9H7ClN2O2, the occurrence of O—H...N hydrogen-bond interactions results in the formation of a pseudo-dimer arranged around an inversion center.

scholarly journals (2Z)-2-Bromo-3-[3,5-dibromo-4-(ethylamino)phenyl]-1-(2,4-dichlorophenyl)prop-2-en-1-one

2007 ◽  
Vol 63 (11) ◽  
pp. o4308-o4309 ◽  
Author(s):  
Ray J. Butcher ◽  
Jerry P. Jasinski ◽  
Anil N. Mayekar ◽  
B. Narayana ◽  
H. S. Yathirajan
Keyword(s):  
Hydrogen Bond ◽  
Molecular Conformation ◽  
Crystal Packing ◽  
Phenyl Group ◽  
Hydrogen Bond Interactions ◽  
Compound C ◽  
Propyl Ketone ◽  
Phenyl Rings ◽  
The Mean ◽  
Intramolecular Hydrogen

In the title compound, C17H12Br3Cl2NO, the mean planes of the 3,5-dibromo-4-phenyl and 2,4-dichlorophenyl groups make a dihedral angle of 72.4 (2)°. The dihedral angles between the 2-bromoprop-2-en-1-one group and the two phenyl ring groups (3,5-dibromo-4-phenyl and 2,4-dichlorophenyl) are 71.1 (1) and 10.9 (4)°, respectively. The crystal packing is stabilized by intermolecular N—H...O hydrogen-bond interactions between the ethylamino H atom and the propyl ketone O atom, with the 3,5-dibromo-4-phenyl rings linked in chains in an alternate inverted pattern parallel and oblique to the ac face and diagonally along the a axis of the unit cell. An intramolecular hydrogen bond between the ethyl amino H atom and the 5-Br atom from the 3,5-dibromo-4-phenyl group helps stabilize the molecular conformation.

scholarly journals Crystal structure ofN-(propan-2-ylcarbamothioyl)benzamide

2015 ◽  
Vol 71 (1) ◽  
pp. o56-o57
Author(s):  
Jerry P. Jasinski ◽  
Mehmet Akkurt ◽  
Shaaban K. Mohamed ◽  
Mohamed A. Gad ◽  
Mustafa R. Albayati
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Dihedral Angle ◽  
Title Compound ◽  
Phenyl Ring ◽  
Crystal Packing ◽  
Central Plane ◽  
Prominent Feature ◽  
Compound C ◽  
Centrosymmetric Dimers

In the crystal structure of the title compound, C11H14N2OS, the six atoms of the central C2N2OS residue are coplanar (r.m.s. deviation = 0.002 Å), which facilitates the formation of an intramolecular N—H...O hydrogen bond, which closes anS(6) loop. The terminal phenyl ring is inclined with respect to the central plane [dihedral angle = 42.10 (6)°]. The most prominent feature of the crystal packing is the formation of {...HNCS}2synthons resulting in centrosymmetric dimers.

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