scholarly journals N′-(3,5-Dichloro-2-hydroxybenzylidene)-4-(dimethylamino)benzohydrazide methanol monosolvate

2012 ◽  
Vol 68 (4) ◽  
pp. o1042-o1042 ◽  
Author(s):  
Huanzhi Xu ◽  
Jingya Sun
Keyword(s):  
Hydrogen Bond ◽  
Schiff Base ◽  
Hydrogen Bonds ◽  
Least Squares ◽  
Dihedral Angle ◽  
Title Compound ◽  
Mean Deviation ◽  
Compound C ◽  
Benzene Rings

The title compound, C16H15Cl2N3O2·CH3OH, a Schiff base molecule, is prepared by the reaction of 3,5-dichlorosalicylaldehyde with 4-dimethylaminobenzohydrazide in methanol. The Schiff base molecule is approximately planar, with a mean deviation from the least-squares plane defined by the non-H atoms of 0.0452 (3) Å, and with a dihedral angle between the benzene rings of 4.2 (3)°. This planarity is assisted by the formation of an intramolecular O—H...N hydrogen bond. In the crystal, adjacent Schiff base molecules are linked by two methanol molecules through N—H...O and O—H...O hydrogen bonds, forming dimers.

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 (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 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 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 [1-(2,5-Dichloroanilino)-5-methyl-1H-1,2,3-triazol-4-yl]methanol

IUCrData ◽  
2016 ◽  
Vol 1 (1) ◽  
Author(s):  
Anna C. Cunha ◽  
Alessandro K. Jordão ◽  
Maria C. B. V. de Souza ◽  
Vitor F. Ferreira ◽  
Maria C. B. de Almeida ◽  
...  
Keyword(s):  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Benzene Ring ◽  
Dihedral Angle ◽  
Hydroxy Group ◽  
Title Compound ◽  
Membered Ring ◽  
Compound C ◽  
Centroid Distance ◽  
Benzene Rings

In the title compound, C10H10Cl2N4O, the hydroxy group and benzene ring are disposed to opposite sides of the central 1,2,3-triazolyl ring. The dihedral angle between the five- and six-membered rings is 87.51 (12)°, and the C—O bond of the hydroxy group lies almost normal to the plane of the 5-membered ring [N—C—C—O = −93.2 (2)°]. An intramolecular amino-N—H...Cl hydrogen bond is noted. In the extended structure, supramolecular layers in theabplane are formedviahydroxy-O—H...N(ring) and amine-N—H...O(hydroxy) hydrogen bonds. The layers are connected along thecaxis by π–π contacts between benzene rings [inter-centroid distance = 3.7789 (13) Å] and by C—Cl...π interactions.

scholarly journals (S)-1-(Benzylselanyl)-3-phenylpropan-2-amine

IUCrData ◽  
2019 ◽  
Vol 4 (7) ◽  
Author(s):  
K. M. Prabhu Kumar ◽  
B. S. Palakshamurthy ◽  
J. P. Jasinski ◽  
R. J. Butcher ◽  
P. Raghavendra Kumar
Keyword(s):  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Title Compound ◽  
Compound C ◽  
Benzene Rings

In the title compound, C16H19NSe, the dihedral angle between the benzene rings is 66.49 (12) and a weak intramolecular N—H...Se hydrogen bond generates an S(6) ring. In the crystal, weak N—H...N hydrogen bonds link the molecules into [100] chains.

scholarly journals 2,4-Dichloro-6-[(2-hydroxy-5-methylanilino)methylidene]cyclohexa-2,4-dienone

IUCrData ◽  
2019 ◽  
Vol 4 (10) ◽  
Author(s):  
Tarun Kumar Pal ◽  
Md Ashraful Alam ◽  
Md Dulal Hossain ◽  
Subrata Paul ◽  
Ryuta Miyatake ◽  
...  
Keyword(s):  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Title Compound ◽  
The Other ◽  
Asymmetric Unit ◽  
Compound C ◽  
Centroid Distance ◽  
Benzene Rings ◽  
Independent Molecules

The title compound, C14H11Cl2NO2, has been prepared by the condensation of 3,5-dichlorosalicylaldehyde and 2-amino-4-methylphenol. The asymmetric unit consists of two independent molecules, both of which are almost planar; the dihedral angle between the two benzene rings is 10.61 (8)° for one molecule and 2.46 (8)° for the other. There is an intramolecular N—H...O hydrogen bond that generates S(6) ring motifs in each molecule. In the crystal, the two independent molecules are linked by O—H...O and C—H...Cl hydrogen bonds, forming a pseudo-inversion dimer. A π–π interaction, with a centroid–centroid distance of 3.6065 (12) Å, is also observed.

scholarly journals (2E)-2-Benzylidene-N-phenylhydrazinecarboxamide

2014 ◽  
Vol 70 (5) ◽  
pp. o591-o591 ◽  
Author(s):  
S. R. Layana ◽  
M. Sithambaresan ◽  
V. L. Siji ◽  
M. R. Sudarsanakumar ◽  
S. Suma
Keyword(s):  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Least Squares ◽  
Title Compound ◽  
Three Dimensional ◽  
Dimensional Structure ◽  
Intermolecular Distance ◽  
Compound C ◽  
Benzene Rings ◽  
Centrosymmetric Dimers

The molecule of the title compound, C14H13N3O, adopts anEconformation with respect to the azomethine C=N bond, and is roughly planar, with an r.m.s. deviation of the non-H atoms from the least-squares plane of 0.100 (2) Å and a dihedral angle between the terminal benzene rings of 5.74 (12)°. An intramolecular N—H...N hydrogen bond closes anS(6) ring. In the crystal, molecules are linked by the pairs of N—H...O hydrogen bonds into centrosymmetric dimers. Dimers related by translation along [010] form slanted stacks, the shortest C...C intermolecular distance within the stack being 3.283 (3) Å. Weak C—H...π interactions link the stacks into a three-dimensional structure.

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).

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