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 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].

scholarly journals 2-Anilino-3-(2-hydroxypropyl)-4-methyl-1,3-thiazol-3-ium chloride

2012 ◽  
Vol 68 (6) ◽  
pp. o1881-o1882 ◽  
Author(s):  
Shaaban K. Mohamed ◽  
Mehmet Akkurt ◽  
Muhammad N. Tahir ◽  
Antar A. Abdelhamid ◽  
Ali N. Khalilov
Keyword(s):  
Hydrogen Bonds ◽  
Benzene Ring ◽  
Dihedral Angle ◽  
Torsion Angle ◽  
Title Compound ◽  
Torsion Angles ◽  
Compound C ◽  
C And N ◽  
Thiazolium Ring

In the title compound, C13H17N2OS+·Cl−, the thiazolium ring mean plane makes a dihedral angle of 55.46 (9)° with the benzene ring. In the propanol group, the N—C—C—C and N—C—C—O torsion angles are 172.58 (15) and 52.9 (2)°, respectively, and the S—C—C—C torsion angle is 178.99 (18)°. In the crystal, molecules are linked by O—H...Cl and N—H...Cl hydrogen bonds, forming zigzag chains along [001]. There is also a C—H...Cl interaction present.

scholarly journals 2-Nitrobenzyl methanesulfonate

2014 ◽  
Vol 70 (5) ◽  
pp. o616-o616 ◽  
Author(s):  
Venkatramu Anuradha ◽  
S. Madan Kumar ◽  
B. P. Siddaraju ◽  
N. K. Lokanath ◽  
P. Nagendra
Keyword(s):  
Hydrogen Bonds ◽  
Nitro Group ◽  
Benzene Ring ◽  
Dihedral Angle ◽  
Torsion Angle ◽  
Title Compound ◽  
Three Dimensional ◽  
Compound C ◽  
Dimensional Network

In the title compound, C8H9NO5S, the dihedral angle between the benzene ring and the nitro group is 5.86 (15)° and the C—C—O—S group adopts ananticonformation [torsion angle = −168.44 (15)°]. In the crystal, molecules are linked by C—H...O hydrogen bonds, generating a three-dimensional network.

scholarly journals (E)-4-Bromo-N′-(4-hydroxy-3-methoxybenzylidene)benzohydrazide monohydrate

2012 ◽  
Vol 68 (4) ◽  
pp. o1069-o1070 ◽  
Author(s):  
Jirapa Horkaew ◽  
Suchada Chantrapromma ◽  
Teerasak Anantapong ◽  
Akkharawit Kanjana-Opas ◽  
Hoong-Kun Fun
Keyword(s):  
Hydrogen Bonds ◽  
Benzene Ring ◽  
Dihedral Angle ◽  
Torsion Angle ◽  
Title Compound ◽  
Methoxy Group ◽  
Three Dimensional ◽  
Compound C ◽  
Dimensional Network ◽  
Benzene Rings

In the title compound, C15H13BrN2O3·H2O, the dihedral angle between the two benzene rings is 13.92 (6)°. The methoxy group of the 4-hydroxy-3-methoxyphenyl is almost coplanar with its bound benzene ring, as seen by the Cmethyl—O—C—C torsion angle of −0.35 (16)°. In the crystal, molecules are linked into a three-dimensional network by N—H...O, O—H...N and O—H...O hydrogen bonds and also weak C—H...O interactions. A short C...O contact of 3.0191 (15) Å is also present.

scholarly journals N-(4-Sulfamoylphenyl)acetamide

2012 ◽  
Vol 68 (4) ◽  
pp. o1155-o1155
Author(s):  
Abdullah M. Asiri ◽  
Hassan M. Faidallah ◽  
Tariq R. Sobahi ◽  
Seik Weng Ng ◽  
Edward R. T. Tiekink
Keyword(s):  
Hydrogen Bonds ◽  
Benzene Ring ◽  
Dihedral Angle ◽  
Torsion Angle ◽  
Title Compound ◽  
Three Dimensional ◽  
Amino Group ◽  
Compound C

In the title compound, C8H10N2O3S, the dihedral angle between the acetamide group and the benzene ring is 15.59 (12)° and the amino group is close to being perpendicular to the benzene ring [N—S—Car—Car(ar = aromatic) torsion angle = 109.4 (2)°]. In the crystal, molecules are linked into supramolecular tubes parallel to [001] by amine–amide N—H...O interactions and these are connected into the three-dimensional architecture by amide–sulfonamide N—H...O hydrogen bonds. The crystal studied was a racemic twin.

scholarly journals 2,5-Dimethoxy-N-phenylbenzenesulfonamide

IUCrData ◽  
2017 ◽  
Vol 2 (2) ◽  
Author(s):  
K. Shakuntala ◽  
Vijaya Kumari ◽  
N. K. Lokanath ◽  
S. Naveen ◽  
P. A. Suchetan
Keyword(s):  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Benzene Ring ◽  
Dihedral Angle ◽  
Torsion Angle ◽  
Title Compound ◽  
Compound C ◽  
Methoxy Groups ◽  
Benzene Rings

The molecule of the title compound, C14H15NO4S, is L-shaped, with the central C—S—N—C segment having a torsion angle of −62.9 (2)°. The dihedral angle between the benzene rings is 89.17 (9)°. The C atoms of the methoxy groups are close to coplanar with their attached benzene ring [deviations = 0.084 (4) and −0.192 (5) Å]. An intramolecular C—H...O hydrogen bond occurs. In the crystal, inversion dimers linked by pairs of N—H...O(S) hydrogen bonds generateR22(8) loops.

scholarly journals (E)-1-(1,3-Benzodioxol-5-yl)-3-(2,4,5-trimethoxyphenyl)prop-2-en-1-one

IUCrData ◽  
2017 ◽  
Vol 2 (1) ◽  
Author(s):  
V. M. Sunitha ◽  
S. Naveen ◽  
A. Dileep Kumar ◽  
K. Ajay Kumar ◽  
N. K. Lokanath ◽  
...  
Keyword(s):  
Double Bond ◽  
Hydrogen Bonds ◽  
Benzene Ring ◽  
Dihedral Angle ◽  
Torsion Angle ◽  
Title Compound ◽  
Compound C

The molecule of the title compound C19H18O6, adopts anEconformation about the C=C double bond and the C—C=C—C torsion angle is −179.30 (16)°. The molecule is nearly planar, as indicated by the dihedral angle of 6.99 (6)° between the benzene ring and the benzodioxalane ring. In the crystal, molecules are linkedviaweak C—H...O hydrogen bonds, forming zigzag chains propagating along thebaxis.

scholarly journals 2-(4-Isobutylphenyl)-N′-[(3Z)-2-oxoindolin-3-ylidene]propanohydrazide

2012 ◽  
Vol 68 (4) ◽  
pp. o1222-o1223 ◽  
Author(s):  
Shaaban K. Mohamed ◽  
Mehmet Akkurt ◽  
Mustafa R. Albayati ◽  
Kuldip Singh ◽  
Herman Potgieter
Keyword(s):  
Hydrogen Bonds ◽  
Benzene Ring ◽  
Dihedral Angle ◽  
Torsion Angle ◽  
Title Compound ◽  
Three Dimensional ◽  
Maximum Deviation ◽  
Compound C ◽  
Dimensional Network

In the title compound, C21H23N3O2, the indolin-2-one group is essentially planar, with a maximum deviation of 0.016 (2) Å for the N atom, and makes a dihedral angle of 84.38 (14)° with the benzene ring. The =N—N(H)—C(=O)—C– torsion angle is 0.9 (3)°. In the crystal, molecules are linked into a three-dimensional networkviaN—H...O and C—H...O hydrogen bonds. In addition, a C—H...π interaction was observed.

scholarly journals 2-Hydroxy-N′-[2-(6-methoxynaphthalen-2-yl)propanoyl]benzohydrazide

2012 ◽  
Vol 68 (4) ◽  
pp. o1251-o1252
Author(s):  
Shaaban Kamel Mohamed ◽  
Peter N. Horton ◽  
Mehmet Akkurt ◽  
Mustafa R. Albayati ◽  
Herman Potgeiter
Keyword(s):  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Benzene Ring ◽  
Dihedral Angle ◽  
Torsion Angle ◽  
Title Compound ◽  
Ring System ◽  
Naphthalene Ring ◽  
Compound C ◽  
Ring Motif

In the title compound, C21H20N2O4, the naphthalene ring system makes a dihedral angle of 84.5 (3)° with the benzene ring, and the –C(=O)–N(H)–N(H)–C(=O)– torsion angle is 70.7 (7)°, so that the molecule is twisted. AnS(6) ring motif is formedviaan intramolecular O—H...O hydrogen bond. In the crystal, molecules are linked by N—H...O and C–H...O hydrogen bonds into supramolecular layers in theabplane.

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.

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