scholarly journals 2-Chloro-N-(4-phenyl-1,3-thiazol-2-yl)acetamide

IUCrData ◽  
2016 ◽  
Vol 1 (6) ◽  
Author(s):  
K. Saravanan ◽  
R. Elancheran ◽  
S. Divakar ◽  
S. Kabilan ◽  
S. Selvanayagam
Keyword(s):  
Hydrogen Bonds ◽  
Phenyl Ring ◽  
Thiazole Ring ◽  
Asymmetric Unit ◽  
Geometrical Features ◽  
Independent Molecules

The title acetamide, C11H9ClN2OS, crystallizes with two independent molecules in the asymmetric unit whose geometrical features are similar. The phenyl ring is oriented at angles of 2.5 (1) and 6.2 (1)° with respect to the thiazole ring in the two molecules. In the crystal, molecules are linkedviaC—H...N hydrogen bonds which formC(10) chains along the [-100] direction. The chains are linked by N—H...O and C—H...O hydrogen bonds, formingC(8) chains along the [100] direction.

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 1-(6-Fluoro-1,3-benzothiazol-2-yl)-2-(1-phenylethylidene)hydrazine

2012 ◽  
Vol 68 (8) ◽  
pp. o2438-o2439 ◽  
Author(s):  
Hoong-Kun Fun ◽  
Ching Kheng Quah ◽  
D. Munirajasekhar ◽  
M. Himaja ◽  
B. K. Sarojini
Keyword(s):  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Phenyl Ring ◽  
Three Dimensional ◽  
Ring System ◽  
The Other ◽  
Asymmetric Unit ◽  
Compound C ◽  
Dimensional Network ◽  
Independent Molecules

The asymmetric unit of the title compound, C15H12FN3S, consists of two independent molecules with comparable geometries. In one molecule, the 1,3-benzothiazole ring system (r.m.s. deviation = 0.011 Å) forms a dihedral angle of 19.86 (6)° with the phenyl ring. The corresponding r.m.s. deviation and dihedral angle for the other molecule are 0.014 Å and 22.32 (6)°, respectively. In the crystal, molecules are linkedviaN—H...N, C—H...F and C—H...N hydrogen bonds into a three-dimensional network. The crystal studied was a non-merohedral twin with a refined BASF value of 0.301 (2).

scholarly journals Crystal structures of two hydrazinecarbothioamide derivatives: (E)-N-ethyl-2-[(4-oxo-4H-chromen-3-yl)methylidene]hydrazinecarbothioamide hemihydrate and (E)-2-[(4-chloro-2H-chromen-3-yl)methylidene]-N-phenylhydrazinecarbothioamide

2015 ◽  
Vol 71 (3) ◽  
pp. 305-308 ◽  
Author(s):  
Rajeswari Gangadharan ◽  
Jebiti Haribabu ◽  
Ramasamy Karvembu ◽  
K. Sethusankar
Keyword(s):  
Hydrogen Bonds ◽  
Water Molecule ◽  
Phenyl Ring ◽  
Boat Conformation ◽  
Asymmetric Unit ◽  
Pyran Ring ◽  
Compound I ◽  
Graph Set ◽  
Independent Molecules ◽  
Ring Motif

The title compounds, C13H13N3O2S·0.5H2O, (I), and C17H14ClN3OS, (II), are hydrazinecarbothioamide derivatives. Compound (I) crystallizes with two independent molecules (AandB) and a water molecule of crystallization in the asymmetric unit. The chromene moiety is essentially planar in moleculesAandB, with maximum deviations of 0.028 (3) and 0.016 (3) Å, respectively, for the carbonyl C atoms. In (II), the pyran ring of the chromene moiety adopts a screw-boat conformation and the phenyl ring is inclined by 61.18 (9)° to its mean plane. In the crystal of (I), bifurcated N—H...O and C—H...O hydrogen bonds link the two independent molecules formingA–Bdimers with twoR21(6) ring motifs, andR22(10) andR22(14) ring motifs. In addition to these, the water molecule forms tetrafurcated hydrogen bonds which alternately generateR44(12) andR66(22) graph-set ring motifs. There are also π–π [inter-centroid distances = 3.5648 (14) and 3.6825 (15) Å] interactions present, leading to the formation of columns along thec-axis direction. In the crystal of (II), molecules are linked by pairs of N—H...S hydrogen bonds, forming inversion dimers with anR22(8) ring motif. The dimers are linked by C—H...π interactions, forming ribbons lying parallel to (210).

scholarly journals O-Propyl N-phenylthiocarbamate

2012 ◽  
Vol 68 (6) ◽  
pp. o1774-o1774 ◽  
Author(s):  
Panyapon Sudkaow ◽  
Chien Ing Yeo ◽  
Seik Weng Ng ◽  
Edward R. T. Tiekink
Keyword(s):  
Hydrogen Bonds ◽  
Phenyl Ring ◽  
Asymmetric Unit ◽  
Torsion Angles ◽  
Independent Molecules ◽  
Central Residue

Two independent molecules comprise the asymmetric unit in the title thiocarbamide derivative, C10H13NOS. These differ in the relative orientations of terminal ethyl groups [C—C—C—O torsion angles = −66.95 (13) and 55.92 (13)°, respectively]. The phenyl ring is twisted out of the plane of the central residue [Cq—N—Cph—Cph = −146.20 (12) and −144.15 (12)°, respectively; q = quaternary and ph = phenyl]. The independent molecules are linked into a dimeric aggregate by N—H...S hydrogen bonds and an eight-membered thioamide {...H—N—C=S}2 synthon.

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.

scholarly journals (Z)-N′-(3-Ethyl-4-oxothiazolidin-2-ylidene)-2-[6-(4-methoxyphenyl)imidazo[2,1-b]thiazol-3-yl]acetohydrazide

IUCrData ◽  
2017 ◽  
Vol 2 (1) ◽  
Author(s):  
Zeliha Atioğlu ◽  
Mehmet Akkurt ◽  
Faika Başoğlu ◽  
Nuray Ulusoy Güzeldemirci ◽  
Rahmi Köseoğlu ◽  
...  
Keyword(s):  
Hydrogen Bonds ◽  
Thiazole Ring ◽  
Dihedral Angles ◽  
Asymmetric Unit ◽  
Triclinic Space Group ◽  
Ring Systems ◽  
Compound C ◽  
Benzene Rings ◽  
The Mean ◽  
Independent Molecules

The title compound, C19H19N5O3S2, crystallizes in the triclinic space groupP-1, with two independent molecules (AandB) in the asymmetric unit (Z′ = 2). The imidazo[2,1-b][1,3]thiazole ring systems in moleculesAandBare essentially planar (r.m.s deviations = 0.004 and 0.005 Å, respectively), with dihedral angles of 1.1 (3) and 0.8 (3)°, respectively, between the thiazole and imidazole rings. The mean planes of these ring systems make dihedral angles of 16.0 (2) and 61.9 (2)° for moleculeA, and 11.8 (2) and 74.3 (2)° for moleculeB, with the 1,3-thiazolidine and methoxy-substituted benzene rings, respectively. In the crystal, molecules are linkedviaN—H...O hydrogen bonds, forming –A–B–A–B– chains along [100]. The chains are linked by C—H...O hydrogen bonds, forming layers parallel to theabplane.

scholarly journals Crystal structure of (1Z,2E)-cinnamaldehyde oxime

2015 ◽  
Vol 71 (12) ◽  
pp. o1063-o1064
Author(s):  
Bernhard Bugenhagen ◽  
Nuha Al Soom ◽  
Yosef Al Jasem ◽  
Thies Thiemann
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Phenyl Ring ◽  
Three Dimensional ◽  
Dimensional Structure ◽  
Oxime Group ◽  
Asymmetric Unit ◽  
Compound C ◽  
Independent Molecules

The title compound, C9H9NO, crystallized with two independent molecules (AandB) in the asymmetric unit. The conformation of the two molecules differs slightly with the phenyl ring in moleculeA, forming a dihedral angle of 15.38 (12)° with the oxime group (O—N=C), compared to the corresponding angle of 26.29 (11)° in moleculeB. In the crystal, theAandBmolecules are linked head-to-head by O—H...N hydrogen bonds, forming –A–B–A–B– zigzag chains along [010]. Within the chains and between neighbouring chains there are C—H...π interactions present, forming a three-dimensional structure.

scholarly journals Ethyl 2-(6-bromo-2-phenyl-3H-imidazo[4,5-b]pyridin-3-yl)acetate

IUCrData ◽  
2016 ◽  
Vol 1 (12) ◽  
Author(s):  
Mohammed Yassin Hjouji ◽  
Joel T. Mague ◽  
Youssef Kandri Rodi ◽  
Younes Ouzidan ◽  
El Mokhtar Essassi
Keyword(s):  
Hydrogen Bonds ◽  
Phenyl Ring ◽  
Pyridine Derivative ◽  
Asymmetric Unit ◽  
Independent Molecules

The title imidazo [4,5-b] pyridine derivative, C16H14BrN3O2, crystallizes with two independent molecules (1 and 2) in the asymmetric unit. In molecule 1, the pendant phenyl ring is inclined to the imidazo[4,5-b]pyridine core by 43.10 (4)° while in molecule 2 the corresponding angle is 49.43 (4)°. The two molecules differ primarily in the conformations of the ester substituents. In the crystal, molecules are linkedviaC—H...N and C—H...O hydrogen bonds, forming sheets parallel to theabplane.

scholarly journals 4-Phenyl-1H-imidazole-2(3H)-thione

2012 ◽  
Vol 68 (6) ◽  
pp. o1686-o1686 ◽  
Author(s):  
Anita M. Owczarzak ◽  
Maciej Kubicki
Keyword(s):  
Hydrogen Bonds ◽  
Title Compound ◽  
Asymmetric Unit ◽  
Bond Lengths ◽  
Compound C ◽  
Normal Probability ◽  
Geometrical Features ◽  
Phenyl Rings ◽  
Independent Molecules ◽  
Correlation Factors

In the asymmetric unit of the title compound, C9H8N2S, there are four symmetry-independent molecules (Z′ = 4). The geometrical features of these molecules are quite similar: in the normal probability plots the R 2 correlation factors for bond lengths and angles are generally around 0.95. The twist angles between the imidazole and phenyl rings (which are planar within 3σ) range from 9.0 (6) to 13.1 (5)°. In the crystal, pairs of independent molecules are joined by linear N—H...S and weak C—H...S hydrogen bonds, forming infinite ribbons, of the type ∼ABABAB∼ and ∼CDCDCD∼, propagating along [110]. Second-order hydrogen-bonded R 2 2(8) rings are formed via interweaving infinite C 2 2(8) chains.

scholarly journals t-3-Benzyl-r-2,c-6-diphenylpiperidin-4-one

IUCrData ◽  
2016 ◽  
Vol 1 (2) ◽  
Author(s):  
R. Arulraj ◽  
S. Sivakumar ◽  
A. Thiruvalluvar ◽  
A. Manimekalai
Keyword(s):  
Hydrogen Bonds ◽  
Phenyl Ring ◽  
Three Dimensional ◽  
Chair Conformation ◽  
Dimensional Structure ◽  
Dihedral Angles ◽  
Asymmetric Unit ◽  
Compound C ◽  
Phenyl Rings ◽  
Independent Molecules

The asymmetric unit of the title compound, C24H23NO, contains two crystallographically independent molecules (AandB). In both molecules, the piperidine rings adopt a chair conformation and the phenyl rings and the benzyl group substituents are attached equatorially. The dihedral angle between the phenyl rings is 60.80 (10)° in moleculeAand 68.43 (9)° in moleculeB. The phenyl ring of the benzyl group makes dihedral angles of 76.95 (9) and 42.25 (10)° with the phenyl rings in moleculeA, and dihedral angles of 81.38 (11) and 30.19 (11)° in moleculeB. In the crystal, the two molecules are linked by N—H...O hydrogen bonds, forming –A–B–A–B– chains along [100]. In addition, five C—H...π interactions are also present, linking the chains to form a three-dimensional structure.

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