scholarly journals 4-[(1,3-Thiazol-2-yl)sulfamoyl]phenyl 2,2,2-trifluoroacetate

2012 ◽  
Vol 68 (4) ◽  
pp. o1156-o1156
Author(s):  
Abdullah M. Asiri ◽  
Hassan M. Faidallah ◽  
Khalid A. Alamry ◽  
Seik Weng Ng ◽  
Edward R. T. Tiekink
Keyword(s):  
Hydrogen Bonds ◽  
Benzene Ring ◽  
Dihedral Angle ◽  
Torsion Angle ◽  
Title Compound ◽  
Crystal Packing ◽  
Ester Group ◽  
Compound C

In the title compound, C11H7F3N2O4S2, the 1,3-thiazol-2-amine residue is almost perpendicular to the central benzene ring [dihedral angle = 84.3 (2)°]. There is a small twist between the benzene ring and the ester group [C—O—C—C torsion angle = 9.8 (6)°]. Thus, the molecule has an L-shape. Inversion-related dimers are connected in the crystal packing by pairs of N—H...N hydrogen bonds formed between the amine H and thiazole N atomviaeight-membered {...HNCN}2synthons.

scholarly journals 4-Formyl-2-nitrophenyl 2-chlorobenzoate

2013 ◽  
Vol 69 (12) ◽  
pp. o1806-o1806 ◽  
Author(s):  
Rodolfo Moreno-Fuquen ◽  
Geraldine Hernandez ◽  
Javier Ellena ◽  
Carlos A. De Simone ◽  
Juan C. Tenorio
Keyword(s):  
Hydrogen Bonds ◽  
Nitro Group ◽  
Benzene Ring ◽  
Dihedral Angle ◽  
Title Compound ◽  
Ester Group ◽  
Dihedral Angles ◽  
Compound C ◽  
Benzene Rings ◽  
The Mean

In the title compound, C14H8ClNO5, the benzene rings form a dihedral angle of 19.55 (9)°. The mean plane of the central ester group [r.m.s. deviation = 0.024 Å] forms dihedral angles of 53.28 (13) and 36.93 (16)°, respectively, with the nitro- and chloro-substituted rings. The nitro group forms a dihedral angle of 19.24 (19)° with the benzene ring to which it is attached. In the crystal, molecules are linked by weak C—H...O hydrogen bonds, formingC(7) chains, which run along [100].

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 4-[3,4-Dimethyl-1-(4-methylphenyl)-5-oxo-4,5-dihydro-1H-pyrazol-4-yl]-3,4-dimethyl-1-(4-methylphenyl)-4,5-dihydro-1H-pyrazol-5-one

2012 ◽  
Vol 68 (4) ◽  
pp. o992-o993 ◽  
Author(s):  
Solange M. S. V. Wardell ◽  
Alan H. Howie ◽  
Edward R. T. Tiekink ◽  
James L. Wardell
Keyword(s):  
Benzene Ring ◽  
Dihedral Angle ◽  
Torsion Angle ◽  
Title Compound ◽  
Crystal Packing ◽  
Pyrazole Ring ◽  
Π Interactions ◽  
Compound C

In the title compound, C24H26N4O2, the complete molecule is generated by the application of twofold symmetry. The pyrazole ring is approximately planar [r.m.s. deviation = 0.026 Å] and the benzene ring is twisted out of this plane [dihedral angle = 21.94 (7)°]. A twist in the molecule about the central C—C bond [1.566 (3) Å] is also evident [C—C—C—C torsion angle = 44.30 (14)°]. Supramolecular layers in thebcplane are formed in the crystal packingviaC—H...O and C—H...π interactions.

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 1-(3-Bromophenyl)thiourea

2012 ◽  
Vol 68 (8) ◽  
pp. o2462-o2462 ◽  
Author(s):  
Hoong-Kun Fun ◽  
Ching Kheng Quah ◽  
Prakash S. Nayak ◽  
B. Narayana ◽  
B. K. Sarojini
Keyword(s):  
Hydrogen Bonds ◽  
Benzene Ring ◽  
Dihedral Angle ◽  
Torsion Angle ◽  
Title Compound ◽  
Compound C

In the title compound, C7H7BrN2S, the thiourea moiety is nearly planar (r.m.s. deviation = 0.004 Å) and it forms a dihedral angle of 66.72 (15)° with the benzene ring. The C—N—C—N2 torsion angle is 15.1 (4)°. In the crystal, molecules are linkedviaN—H...S and N—H...N hydrogen bonds into sheets lying parallel to (101).

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 6-Cyanonaphthalen-2-yl 4-hexylbenzoate

2014 ◽  
Vol 70 (5) ◽  
pp. o620-o620 ◽  
Author(s):  
Md. Lutfor Rahman ◽  
H. T. Srinivasa ◽  
Mohd. Yusoff Mashitah ◽  
Huey Chong Kwong ◽  
Ching Kheng Quah
Keyword(s):  
Hydrogen Bonds ◽  
Benzene Ring ◽  
Dihedral Angle ◽  
Title Compound ◽  
Crystal Packing ◽  
Minor Component ◽  
Ring System ◽  
Naphthalene Ring ◽  
Π Interactions ◽  
Compound C

In the title compound, C24H23NO2, a whole molecule is disordered over two sets of sites with occupancies in a ratio of 0.692 (6):0.308 (6). In the major disorder component, the naphthalene ring system forms a dihedral angle of 68.6 (5)° with the benzene ring. The corresponding angle in the minor component is 81.6 (10)°. In the crystal, molecules are linked into chains propagating along theb-axis directionviaweak C—H...O hydrogen bonds. The crystal packing is further consolidated by weak C—H...π interactions.

scholarly journals 2-Fluoro-5-nitroaniline

IUCrData ◽  
2018 ◽  
Vol 3 (3) ◽  
Author(s):  
K. Moorthy ◽  
M. NizamMohideen ◽  
S. Vetrivel ◽  
E. Vinoth ◽  
A. Arun
Keyword(s):  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Nitro Group ◽  
Benzene Ring ◽  
Dihedral Angle ◽  
Title Compound ◽  
Crystal Packing ◽  
Compound C

In the title compound, C6H5FN2O2, the dihedral angle between the nitro group and the benzene ring is 3.68 (2)°, and an intramolecular N—H...F hydrogen bond is observed. The crystal packing is consolidated by C—H...O and N—H...O hydrogen bonds; together, these generate [110] double chains.

scholarly journals Ethyl 5-(4-methylphenyl)-2,4,5,7-tetraazatricyclo[6.4.0.02,6]dodeca-1(8),3,6,9,11-pentaene-3-carboxylate

IUCrData ◽  
2018 ◽  
Vol 3 (6) ◽  
Author(s):  
Ahmed Moussaif ◽  
Youssef Ramli ◽  
Lhoussaine El Ghayati ◽  
El Mokhtar Essassi ◽  
Joel T. Mague
Keyword(s):  
Hydrogen Bonds ◽  
Ethyl Ester ◽  
Benzene Ring ◽  
Dihedral Angle ◽  
Torsion Angle ◽  
Title Compound ◽  
Molecular Conformation ◽  
Ring System ◽  
Compound C ◽  
Π Stacking

In the title compound, C18H16N4O2, the dihedral angle between the fused tricyclic ring system and the pendant benzene ring is 11.03 (4)°. The C—O—C—C torsion angle in the ethyl ester is 102.97 (12)°. The molecular conformation is supported by intramolecular C—H...N and C—H...O hydrogen bonds, which close S(6) and S(7) rings, respectively. Aromatic π–π stacking is observed in the crystal [shortest centroid–centroid separation = 3.5274 (7) Å].

1-(2-Nitrophenyl)-3-pivaloylthiourea

2007 ◽  
Vol 63 (11) ◽  
pp. o4259-o4259 ◽  
Author(s):  
Aamer Saeed ◽  
Ulrich Flörke
Keyword(s):  
Hydrogen Bonds ◽  
Benzene Ring ◽  
Dihedral Angle ◽  
Title Compound ◽  
Crystal Packing ◽  
Ring Form ◽  
Compound C ◽  
Centrosymmetric Dimers

In the structure of the title compound, C12H15N3O3S, the thioamide and amide groups are almost coplanar with the benzene ring. The planes of the NO2 group and the benzene ring form a dihedral angle of 40.8 (2)°. The crystal packing shows intermolecular N—H...S hydrogen bonds, forming centrosymmetric dimers which are stacked along [001].

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