scholarly journals (Anilino{(Z)-2-[(E)-5-bromo-3-methoxy-2-oxidobenzylidene]hydrazin-1-ylidene-κ2O2,N2}methanethiolato-κS)(4,4′-dimethyl-2,2′-bipyridine-κ2N,N′)zincN,N-dimethylformamide monosolvate

2012 ◽  
Vol 68 (8) ◽  
pp. m1089-m1089 ◽  
Author(s):  
Jinsa Mary Jacob ◽  
M. R. Prathapachandra Kurup ◽  
Seik Weng Ng
Keyword(s):  
Hydrogen Bond ◽  
Schiff Base ◽  
Metal Atom ◽  
Schiff Base Ligand ◽  
Title Compound ◽  
Phenyl Ring ◽  
Amine Group ◽  
Asymmetric Unit ◽  
Secondary Amine Group ◽  
Independent Molecules

The asymmetric unit of the title compound, [Zn(C15H12BrN3O2S)(C12H12N2)]·C3H7NO, contains two independent molecules with a similar structure. The doubly deprotonated Schiff base ligandO,N,S-chelates to the metal atom, and the three coordinating atoms along with one N atom of the substituted 2,2′-bipyridine ligand constitute the square plane of the distorted square pyramid surrounding the metal atom. The apical site is occupied by the second N atom of the substituted 2,2′-bipyridine. The secondary amine group of the Schiff base dianion forms a hydrogen bond to the O atom of the dimethylformamide solvent. In the crystal, the phenyl ring of one of the two Schiff base anions is disordered over two positions in a 1:1 ratio. The crystal studied is a racemic twin.

scholarly journals Crystal structure of 5-chloromethyl-N-methyl-4-[(4-phenyl-1,2,3-triazol-1-yl)methyl]isoxazolidine-3-carboxamide

2016 ◽  
Vol 72 (3) ◽  
pp. 378-381
Author(s):  
Jihed Brahmi ◽  
Soumaya Nasri ◽  
Kaïss Aouadi ◽  
Erwann Jeanneau ◽  
Sébastien Vidal ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Phenyl Ring ◽  
Triazole Ring ◽  
Resonant Scattering ◽  
Asymmetric Unit ◽  
Compound C ◽  
Independent Molecules

The title compound, C15H18ClN5O2, crystallizes with two independent molecules (AandB) in the asymmetric unit. In both molecules, the isoxazolidine rings have an envelope conformation with the O atoms at the flap positions. Each molecule has three stereogenic centres with configurations 2(S), 3(S) and 4(R), confirmed by resonant scattering. Their conformations are significantly different, for example in moleculeAthe phenyl ring is inclined to the triazole ring by 32.5 (2)°, while in moleculeBthe corresponding dihedral angle is 10.7 (2)°. In the crystal, theAandBmolecules are linkedviaan N—H...O and a C—H...O hydrogen bond. These units are linked by C—H...O and C—H...N hydrogen bonds, forming slabs parallel to theabplane. There are C—H...π interactions present within the slabs.

{1-[2-(Methylamino)ethyliminomethyl]naphthalen-2-olato}thiocyanatocopper(II)

2006 ◽  
Vol 62 (7) ◽  
pp. m1533-m1534 ◽  
Author(s):  
Han-Na Hou
Keyword(s):  
Schiff Base ◽  
Schiff Base Ligand ◽  
Title Compound ◽  
Planar Geometry ◽  
Asymmetric Unit ◽  
Thiocyanate Anion ◽  
Square Planar

The title compound, [Cu(C14H15N2O)(NCS)], is a mononuclear copper(II) complex, with two molecules in the asymmetric unit. The CuII ion is coordinated by one O and two N atoms of a Schiff base ligand, and by one N atom of a thiocyanate anion, forming a square-planar geometry.

scholarly journals (S)-2-[(4-Fluorophenyl)formamido]-3-phenylpropanoic acid

IUCrData ◽  
2020 ◽  
Vol 5 (7) ◽  
Author(s):  
Kathleen S. Lee ◽  
Luke Turner ◽  
Cynthia B. Powell ◽  
Eric W. Reinheimer
Keyword(s):  
Hydrogen Bonding ◽  
Title Compound ◽  
Phenyl Ring ◽  
Room Temperature ◽  
Solid Phase ◽  
Independent Molecule ◽  
Asymmetric Unit ◽  
Torsion Angles ◽  
Compound C ◽  
Independent Molecules

The title compound, C16H14FNO3, was synthesized via solid phase methods; it exhibits monoclinic (P21) symmetry at room temperature. The two independent molecules that comprise the asymmetric unit display distinct torsion angles of 173.2 (2) and 72.6 (2)° along the central sp 3 C—N bond. In the crystal, hydrogen bonding through N—H...O contacts couples the asymmetric unit molecules into pairs that align in layers extending parallel to (100) via additional O—H...O interactions. The phenyl ring of one independent molecule was found to be disordered over two sets of sites in a 0.55 (3):0.45 (3) ratio.

scholarly journals Tris[2,4-dichloro-6-(ethyliminomethyl)phenolato-κ2N,O]cobalt(III)

2012 ◽  
Vol 68 (8) ◽  
pp. m1047-m1047 ◽  
Author(s):  
Qiu Ping Huang ◽  
Jing Jing Guo ◽  
Yi Dong Zhang ◽  
Shu Hua Zhang
Keyword(s):  
Hydrogen Bond ◽  
Title Compound ◽  
Asymmetric Unit ◽  
Distorted Octahedral Environment ◽  
Octahedral Environment ◽  
Distorted Octahedral ◽  
Phenolate Ligands ◽  
Independent Molecules

The asymmetric unit of the title compound, [Co(C9H8Cl2NO)3], contains three independent molecules. In each molecule, the CoIIIion is coordinated by an O atom and an N atom from three bidentate 2,4-dichloro-6-(ethyliminomethyl)phenolate ligands in a slightly distorted octahedral environment. In the crystal, a weak C—H...Cl hydrogen bond is observed.

scholarly journals Crystal structure of (E)-2-{[(4-anilinophenyl)imino]methyl}phenol

2015 ◽  
Vol 71 (1) ◽  
pp. 28-30 ◽  
Author(s):  
Md. Serajul Haque Faizi ◽  
Turganbay S. Iskenderov ◽  
Natalia O. Sharkina
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Benzene Ring ◽  
Title Compound ◽  
Asymmetric Unit ◽  
Aromatic Rings ◽  
Compound C ◽  
Independent Molecules ◽  
Phenol Ring

The title compound, C19H16N2O, crystallized with two independent molecules (AandB) in the asymmetric unit. There is an intramolecular O—H...N hydrogen bond in each molecule with the phenol ring being inclined to the central benzene ring by 4.93 (14) and 7.12 (14)° in moleculesAandB, respectively. The conformation of the two molecules differs essentially in the orientation of the terminal aminophenyl ring with respect to the central benzene ring; this dihedral angle is 50.51 (4)° in moleculeAand 54.61 (14)° in moleculeB. The two outer aromatic rings are inclined to one another by 51.39 (14) and 49.88 (14)° in moleculesAandB, respectively. In the crystal, molecules are connected by N—H...O hydrogen bonds generating –A-B–A–B– zigzag chains extending along [010]. The chains are linkedviaC—H...π interactions involving neighbouringAmolecules, forming slabs lying parallel to (100).

scholarly journals Crystal structure of 2-[(E)-2-(2-chlorobenzylidene)hydrazin-1-yl]-4-phenyl-1,3-thiazole

2014 ◽  
Vol 70 (9) ◽  
pp. o907-o908 ◽  
Author(s):  
Joel T. Mague ◽  
Shaaban K. Mohamed ◽  
Mehmet Akkurt ◽  
Alaa A. Hassan ◽  
Mustafa R. Albayati
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Phenyl Ring ◽  
Thiazole Ring ◽  
Dihedral Angles ◽  
Asymmetric Unit ◽  
Compound C ◽  
Independent Molecules ◽  
Supramolecular Chains

The asymmetric unit of the title compound, C16H12ClN3S, contains two independent molecules whose conformations differ primarily in the orientations of the phenyl and chlorobenzene rings with respect to the thiazole ring. In the first molecule, the dihedral angles are 3.0 (1) and 9.2 (1)°, respectively, for the phenyl ring and the chlorobenzene ring, while in the second molecule, the corresponding angles are 18.6 (1) and 23.4 (1)°. In the crystal, the two independent molecules are associatedviacomplementary N—H...N hydrogen bonds into a dimer. These dimers are associated through weak C—H...Cl and C—H...S interactions into supramolecular chains propagating along thea-axis direction.

scholarly journals 3-Methoxy-2-[5-(naphthalen-2-yl)-4,5-dihydro-1H-pyrazol-3-yl]phenol

2014 ◽  
Vol 70 (4) ◽  
pp. o464-o464 ◽  
Author(s):  
Dongsoo Koh ◽  
Yoongho Lim ◽  
Alan J. Lough
Keyword(s):  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Ring System ◽  
Dihedral Angles ◽  
Asymmetric Unit ◽  
Naphthalene Ring ◽  
Compound C ◽  
Graph Set ◽  
Independent Molecules

The asymmetric unit of the title compound, C20H18N2O2, contains two independent molecules in which the dihedral angles between the naphthalene ring system [r.m.s. deviations = 0.012 (1) and 0.015 (1) Å] and the benzene ring are 71.65 (6) and 74.51 (6)°. In the crystal, pairs of N—H...O hydrogen bonds form two independent inversion dimers with graph-set notationR22(14). In addition, each molecule contains an intramolecular O—H...N hydrogen bond with anS(6) motif.

scholarly journals 1-(2-Bromophenyl)-3-(4-chlorobutanoyl)thiourea

2012 ◽  
Vol 68 (4) ◽  
pp. o1267-o1267 ◽  
Author(s):  
Mohd Sukeri Mohd Yusof ◽  
Nur Farhana Embong ◽  
Suhana Arshad ◽  
Ibrahim Abdul Razak
Keyword(s):  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Benzene Ring ◽  
Title Compound ◽  
Dihedral Angles ◽  
Asymmetric Unit ◽  
Compound C ◽  
The Mean ◽  
Independent Molecules ◽  
Ring Motif

The asymmetric unit of the title compound, C11H12BrClN2OS, consists of two crystallographically independent molecules. In each molecule, the butanoylthiourea unit is nearly planar, with maximum deviations of 0.1292 (19) and 0.3352 (18) Å from the mean plane defined by nine non-H atoms, and is twisted relative to the terminal benzene ring with dihedral angles of 69.26 (7) and 82.41 (7)°. An intramolecular N—H...O hydrogen bond generates anS(6) ring motif in each butanoylthiourea unit. In the crystal, N—H...O hydrogen bonds link the two independent molecules together, forming anR22(12) ring motif. The molecules are further connected into a tape along thecaxisviaN—H...S and C—H...S hydrogen bonds.

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

IUCrData ◽  
2018 ◽  
Vol 3 (3) ◽  
Author(s):  
Tarun Kumar Pal ◽  
Md Dulal Hossain ◽  
Md Chanmiya Sheikh ◽  
Ryuta Miyatake ◽  
Md Ashraful Alam
Keyword(s):  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Dihedral Angles ◽  
Asymmetric Unit ◽  
Compound C ◽  
Benzene Rings ◽  
Independent Molecules ◽  
Ring Motif

The new bromo-substituted title compound, C14H11Br2NO2, was synthesized by the condensation of 3,5-dibromosalicylaldehyde and 2-amino-4-methyl phenol. The asymmetric unit consists of two crystallographically independent molecules (AandB), which are related to each other by a pseudo-inversion centre. Both molecules are almost planar; dihedral angles between the two benzene rings are 11.40 (11)° forAand 3.05 (12)° forB. In each molecule, there is an intramolecular N—H...O hydrogen bond with anS(6) ring motif. In the crystal, two independent molecules are linked by O—H...O hydrogen bonds, forming a pseudo-inversionA–Bdimer.

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.

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