scholarly journals 4-Bromo-2-[({2-[(2-hydroxyethyl)amino]ethyl}imino)methyl]phenol

IUCrData ◽  
2021 ◽  
Vol 6 (4) ◽  
Author(s):  
Erika Samoľová ◽  
Aliakbar Dehno Khalaji ◽  
Václav Eigner
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Condensation Reaction ◽  
Monoclinic Space Group ◽  
Asymmetric Unit ◽  
Compound C ◽  
Independent Molecules ◽  
Schiff Base Compound ◽  
Ring Motif ◽  
Base Compound

The new title Schiff base compound, C11H15BrN2O2, crystallizes in the monoclinic space group P21 with two independent molecules in the asymmetric unit. It was prepared by the condensation reaction of 5-bromo-2-hydroxybenzaldehyde and aminoethylethanolamine. There is an intramolecular O—H...N hydrogen bond with an S(6) ring motif. Moreover, there are intermolecular C—H...N, C—H...O and Br...O interactions in the crystal structure of the title compound.

scholarly journals Crystal structure ofN-[(4-ethoxyphenyl)carbamothioyl]cyclohexanecarboxamide

2015 ◽  
Vol 71 (11) ◽  
pp. o820-o821
Author(s):  
G. Vimala ◽  
J. Haribabu ◽  
S. Srividya ◽  
R. Karvembu ◽  
A. SubbiahPandi
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Chair Conformation ◽  
Cyclohexane Ring ◽  
Dihedral Angles ◽  
Asymmetric Unit ◽  
Compound C ◽  
The Mean ◽  
Independent Molecules ◽  
Ring Motif

The asymmetric unit of the title compound, C16H22N2O2S, contains two crystallographically independent molecules (AandB). In moleculeA, the cyclohexane ring is disordered over two orientations [occupancy ratio 0.841 (10):0.159 (10)]. In each molecule, the central carbonyl thiourea unit is nearly planar (r.m.s. deviations for all non-H atoms of 0.034 Å in moleculeAand 0.094 Å in moleculeB). In both molecules, the cyclohexane ring adopts a chair conformation. The mean plane of the cyclohexane ring makes dihedral angles of 35.8 (4) (moleculeA) and 20.7 (3)° (moleculeB) with that of the benzene ring. Each molecule features an intramolecular N—H...O hydrogen bond, which closes anS(6) ring motif. In the crystal, molecules are linkedviapairs of weak N—H...S interactions, forming inversion dimers with anR22(8) ring motif for both molecules. The crystal structure also features weak C—H...π ring interactions.

scholarly journals Crystal structure of (E)-N-cyclohexyl-2-(2-hydroxy-3-methylbenzylidene)hydrazine-1-carbothioamide

2019 ◽  
Vol 75 (7) ◽  
pp. 1065-1068
Author(s):  
Md. Azharul Arafath ◽  
Huey Chong Kwong ◽  
Farook Adam
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Title Compound ◽  
Chair Conformation ◽  
Cyclohexane Ring ◽  
Asymmetric Unit ◽  
Compound C ◽  
The Mean ◽  
Independent Molecules ◽  
Ring Motif

The asymmetric unit of the title compound, C15H21N3OS, comprises of two crystallographically independent molecules (A and B). Each molecule consists of a cyclohexane ring and a 2-hydroxy-3-methylbenzylidene ring bridged by a hydrazinecarbothioamine unit. Both molecules exhibit an E configuration with respect to the azomethine C=N bond. There is an intramolecular O—H...N hydrogen bond in each molecule forming an S(6) ring motif. The cyclohexane ring in each molecule has a chair conformation. The benzene ring is inclined to the mean plane of the cyclohexane ring by 47.75 (9)° in molecule A and 66.99 (9)° in molecule B. The mean plane of the cyclohexane ring is inclined to the mean plane of the thiourea moiety [N—C(=S)—N] by 55.69 (9) and 58.50 (8)° in molecules A and B, respectively. In the crystal, the A and B molecules are linked by N—H...S hydrogen bonds, forming `dimers'. The A molecules are further linked by a C—H...π interaction, hence linking the A–B units to form ribbons propagating along the b-axis direction. The conformation of a number of related cyclohexanehydrazinecarbothioamides are compared to that of the title compound.

scholarly journals Crystal structure and DFT study of (E)-2,6-di-tert-butyl-4-{[2-(pyridin-2-yl)hydrazin-1-ylidene)methyl}phenol

2017 ◽  
Vol 73 (10) ◽  
pp. 1449-1452
Author(s):  
Md. Serajul Haque Faizi ◽  
Ashanul Haque ◽  
Mustafa Dege ◽  
Necmi Dege ◽  
Maria L. Malysheva
Keyword(s):  
Molecular Structure ◽  
Crystal Structure ◽  
Density Functional Theory ◽  
Hydrogen Bond ◽  
Density Functional ◽  
Condensation Reaction ◽  
Monoclinic Space Group ◽  
Functional Theory ◽  
Compound C ◽  
Ring Motif

The title compound, C20H27N3O, was synthesized by condensation reaction of 3,5-di-tert-butyl-4-hydroxybenzaldehyde and 2-hydrazinylpyridine, and crystallizes in the centrosymmetric monoclinic space groupC2/c. The conformation about the C=N bond isE. The dihedral angle between the rings is 18.1 (3)°. An intermolecular N—H...N hydrogen bond generates anR22(8) ring motif. In the crystal, N—H...N hydrogen bonds connect pairs of molecules, forming dimers. Density functional theory (DFT) optimized structures at the B3LYP/6–311 G(d,p) level are compared with the experimentally determined molecular structure in the solid state.

scholarly journals Crystal structure of (E)-2-{[(6-methoxy-1,3-benzothiazol-2-yl)imino]methyl}phenol

2015 ◽  
Vol 71 (4) ◽  
pp. 385-387
Author(s):  
Yousef Hijji ◽  
Belygona Barare ◽  
Gilbert Wairia ◽  
Ray J. Butcher ◽  
Jan Wikaira
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Membered Ring ◽  
Asymmetric Unit ◽  
Orthorhombic Space Group ◽  
Compound C ◽  
Independent Molecules ◽  
Intramolecular Hydrogen ◽  
Ring Motif ◽  
Base Moiety

The title compound, C15H12N2O2S, crystallizes in the orthorhombic space groupPna21, with two molecules in the asymmetric unit (Z′ = 2). Each molecule consists of a 2-hydroxy Schiff base moiety linked through a spacer to a 2-aminobenzothiazole moiety. Each molecule contains an intramolecular hydrogen bond between the –OH group and imine N atom, forming a six-membered ring. The two independent molecules are linked by a pair of C—H...O hydrogen bonds, forming dimers with anR22(20) ring motif. These dimers are further lined into sheets in theabplane by weak intermolecular C—H...N interactions. The structure was refined as an inversion twin

scholarly journals Crystal structure of (E)-2,6-di-tert-butyl-4-{[2-(2,4-dinitrophenyl)hydrazinylidene]methyl}phenol

2017 ◽  
Vol 73 (2) ◽  
pp. 96-98 ◽  
Author(s):  
Md. Serajul Haque Faizi ◽  
Necmi Dege ◽  
Ashanul Haque ◽  
Valentina A. Kalibabchuk ◽  
Mustafa Cemberci
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Schiff Base ◽  
Mirror Plane ◽  
Hydrogen Atoms ◽  
Compound C ◽  
Intermolecular Contacts ◽  
Schiff Base Compound ◽  
Ring Motif ◽  
Base Compound

The essential part (including all the non-hydrogen atoms except two methyl carbons) of the molecule of the title compound, C21H26N4O5, lies on a mirror plane, which bisects thet-butyl groups. The conformation of the C=N bond of this Schiff base compound isE, and there is an intramolecular N—H...O hydrogen bond present, forming anS(6) ring motif. In the crystal, molecules are linkedviaO—H...O hydrogen bonds, forming zigzag chains propagating along thea-axis direction. There are no other significant intermolecular contacts present.

scholarly journals Crystal structure of (E)-5-diethylamino-2-({[4-(dimethylamino)phenyl]imino}methyl)phenol

2015 ◽  
Vol 71 (7) ◽  
pp. o503-o503 ◽  
Author(s):  
C. Vidya Rani ◽  
G. Chakkaravarthi ◽  
G. Rajagopal
Keyword(s):  
Molecular Structure ◽  
Crystal Structure ◽  
Hydrogen Bond ◽  
Schiff Base ◽  
Dihedral Angle ◽  
Aromatic Rings ◽  
Compound C ◽  
Schiff Base Compound ◽  
Ring Motif ◽  
Base Compound

The title Schiff base compound, C19H25N3O, is approximately planar, with a dihedral angle of 9.03 (13)° between the planes of the aromatic rings, and has anEconformation about the N=C bond. The molecular structure is stabilized by an intramolecular O—H...N hydrogen bond, with anS(6) ring motif. In the crystal, molecules are linked by C—H...π interactions, forming sheets parallel to thebcplane.

scholarly journals Crystal structure of (Z)-3-benzyloxy-6-[(2-hydroxy-5-methylanilino)methylidene]cyclohexa-2,4-dien-1-one

2014 ◽  
Vol 70 (9) ◽  
pp. o957-o958 ◽  
Author(s):  
Nadir Ghichi ◽  
Ali Benosmane ◽  
Ali Benboudiaf ◽  
Hocine Merazig
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Schiff Base ◽  
Hydrogen Bonds ◽  
Membered Ring ◽  
Compound C ◽  
Schiff Base Compound ◽  
Ring Motif ◽  
Base Compound

In the title Schiff base compound, C21H19NO3, the conformation about the C=C bond isZ. The N—H group and carbonyl O atom form an intramolecular N—H...O hydrogen bond with anS(6) ring motif. The benzyloxy ring and the 2-hydroxy-5-methylphenyl ring are inclined to the central six-membered ring by 13.68 (9) and 9.13 (8)°, respectively, and to one another by 21.95 (9)°. In the crystal, molecules are linked by O—H...O hydrogen bonds, forming helical chains along [010].

scholarly journals Crystal structure of benzyl (E)-2-(3,4-dimethoxybenzylidene)hydrazine-1-carbodithioate

2015 ◽  
Vol 71 (2) ◽  
pp. 238-240 ◽  
Author(s):  
Yew-Fung Tan ◽  
Mohammed Khaled bin Break ◽  
M. Ibrahim M. Tahir ◽  
Teng-Jin Khoo
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Title Compound ◽  
Condensation Reaction ◽  
Asymmetric Unit ◽  
Π Interactions ◽  
Compound C ◽  
Independent Molecules ◽  
Ring Motif

The title compound, C17H18N2O2S2, synthesizedviaa condensation reaction betweenS-benzyl dithiocarbazate and 3,4-dimethoxybenzaldehyde, crystallized with two independent molecules (AandB) in the asymmetric unit. Both molecules have an L-shape but differ in the orientation of the benzyl ring with respect to the 3,4-dimethoxybenzylidine ring, this dihedral angle is 65.59 (8)° in moleculeAand 73.10 (8)° in moleculeB. In the crystal, theAandBmolecules are linkedviapairs of N—H...S hydrogen bonds, forming dimers with anR22(8) ring motif. The dimers are linkedviapairs of C—H...O hydrogen bonds, giving inversion dimers of dimers. These units are linked by C—H...π interactions, forming ribbons propagating in the [100] direction.

scholarly journals Crystal structure ofS-hexyl (E)-3-(2-hydroxybenzylidene)dithiocarbazate

2016 ◽  
Vol 72 (3) ◽  
pp. 290-292 ◽  
Author(s):  
M. S. Begum ◽  
M. B. H. Howlader ◽  
M. C. Sheikh ◽  
R. Miyatake ◽  
E. Zangrando
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Asymmetric Unit ◽  
Compound C ◽  
Independent Molecules ◽  
Ring Motif

The title compound, C14H20N2OS2[systematic name:S-hexyl (E)-2-(2-hydroxybenzylidene)hydrazine-1-carbodithioate], crystallizes with four independent molecules (A–D) in the asymmetric unit. All four molecules adopt anEconformation with respect to the C=N bond of the benzylidene moiety and have an intramolecular O—H...N hydrogen bond generating anS(6) ring motif. In the crystal, theAandDmolecules are connected by a pair N—H...S hydrogen bonds, forming a dimer with anR22(8) ring motif. In the case of moleculesBandC, they are linked to themselves by pairs of N—H...S hydrogen bonds, formingB–BandC–Cinversion dimers withR22(8) ring motifs.

scholarly journals Crystal structure of (E)-1-[4-({4-[(4-methoxybenzylidene)amino]phenyl}sulfanyl)phenyl]ethan-1-one

2015 ◽  
Vol 71 (2) ◽  
pp. o109-o110
Author(s):  
Rabihe Hebbachi ◽  
Amel Djedouani ◽  
Soumia Kadri ◽  
Hénia Mousser ◽  
Abdelhamid Mousser
Keyword(s):  
Crystal Structure ◽  
Schiff Base ◽  
Asymmetric Unit ◽  
Aromatic Rings ◽  
Compound C ◽  
Benzene Rings ◽  
Independent Molecules ◽  
Schiff Base Compound ◽  
The Individual ◽  
Base Compound

The title Schiff base compound, C22H19NO2S, crystallized with two independent molecules (AandB) in the asymmetric unit. Both molecules have anEconformation about the C=N bond. The two molecules differ in the orientation of the aromatic rings with respect to each other. The outer 4-methoxybenzene ring is inclined to the central benzene ring and the outer 4-acetylbenzene ring by 1.80 (19) and 63.73 (19)°, respectively, in moleculeA, and by 6.72 (18) and 68.53 (19)°, respectively, in moleculeB. The two outer benzene rings are inclined to one another by 63.77 (18) and 63.19 (18)° in moleculesAandB, respectively. In the crystal, the individual molecules stack in columns along [010], and are linked by a number of C—H...π interactions, forming slabs lying parallel to (001).

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