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-[Hydroxy(2-methoxyphenyl)methyl]acrylonitrile

2012 ◽  
Vol 68 (8) ◽  
pp. o2467-o2467
Author(s):  
M. Bakthadoss ◽  
R. Selvakumar ◽  
R. Madhanraj ◽  
S. Murugavel
Keyword(s):  
Hydrogen Bonds ◽  
Diffraction Pattern ◽  
Benzene Ring ◽  
Dihedral Angle ◽  
Title Compound ◽  
Acta Cryst ◽  
Compound C ◽  
C And N ◽  
The Mean ◽  
Solvent Molecules

In the title compound, C11H11NO2, the mean planes formed by the benzene ring and the C and N atoms of the acryl group are almost orthogonal to each other, with a dihedral angle of 85.7 (1)°. During the structure analysis, it was observed that the unit cell contains large accessible voids, with a volume of 186.9 Å3, which may host disordered solvent molecules. This affects the diffraction pattern, mostly at low scattering angles. Density identified in these solvent-accessible areas was calculated and corrected for using the SQUEEZE routine inPLATON[Spek (2009),Acta Cryst.D65, 148–155]. Despite the presence of the hydroxy group in the molecule, no classical or nonclassical hydrogen bonds are observed in the structure. This may reflect the fact that the O—H group points towards the solvent-accessible void.

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 5-Bromo-4-(3,4-dimethoxyphenyl)thiazol-2-amine

2012 ◽  
Vol 68 (6) ◽  
pp. o1631-o1632 ◽  
Author(s):  
Hazem A. Ghabbour ◽  
Tze Shyang Chia ◽  
Hoong-Kun Fun
Keyword(s):  
Hydrogen Bonds ◽  
Benzene Ring ◽  
Dihedral Angle ◽  
Title Compound ◽  
Thiazole Ring ◽  
Torsion Angles ◽  
Compound C ◽  
Methoxy Groups ◽  
Ring Motif

In the title compound, C11H11BrN2O2S, the thiazole ring makes a dihedral angle of 53.16 (11)° with the adjacent benzene ring. The two methoxy groups are slightly twisted from the attached benzene ring with C—O—C—C torsion angles of −9.2 (3) and −5.5 (3)°. In the crystal, molecules are linked by a pair of N—H...N hydrogen bonds into an inversion dimer with an R 2 2(8) ring motif. The dimers are further connected by N—H...O hydrogen bonds into a tape along [-110].

scholarly journals Crystal structure of (E)-N-{2-[2-(3-chlorobenzylidene)hydrazinyl]-2-oxoethyl}-4-methylbenzenesulfonamide monohydrate

2015 ◽  
Vol 71 (6) ◽  
pp. 602-605 ◽  
Author(s):  
H. Purandara ◽  
Sabine Foro ◽  
B. Thimme Gowda
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Torsion Angle ◽  
Title Compound ◽  
Aromatic Rings ◽  
Hydrogen Atoms ◽  
Torsion Angles ◽  
Compound C ◽  
Corrugated Sheets

The molecule of the title compound, C16H16ClN3O3S·H2O, is L-shaped being bent at the S atom; the S—N—C—C torsion angle is 132.0 (3)°. The central part of the molecule, C—C—N—N=C, is almost linear, with the C—C—N—N and C—N—N=C torsion angles being −174.1 (2) and 176.0 (2)°, respectively. The dihedral angle between thep-toluenesulfonyl ring and the S—N—C—C(=O) segment is 67.5 (4)°, while that between the two aromatic rings is 52.17 (11)°. In the crystal, the water H atom is involved in O—H...O hydrogen bonds with a sulfonamide O atom and the carbonyl O atom. The water O atom is itself hydrogen bonded to both NH hydrogen atoms. These four hydrogen bonds lead to the formation of corrugated sheets lying parallel to (100). There are also weak C—H...O contacts present within the sheets.

scholarly journals 1,3-Dinitrosoimidazolidine

2012 ◽  
Vol 68 (8) ◽  
pp. o2440-o2440
Author(s):  
Augusto Rivera ◽  
Diego Quiroga ◽  
Jaime Ríos-Motta ◽  
Michal Dušek ◽  
Karla Fejfarová
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Torsion Angle ◽  
Title Compound ◽  
Spatial Arrangement ◽  
The Other ◽  
Torsion Angles ◽  
Compound C ◽  
Partial Disorder

The title compound, C3H6N4O2, exhibits partial disorder with the refined occupancy ratios of the two components being 0.582 (5):0.418 (5). In the major component, the nitroso groups have a relativesynspatial arrangement [O=N...N=O pseudo-torsion angle = 1.1 (4)°], whereas the other component has anantidisposition [177.6 (1)°]. The N—N=O moieties are almost coplanar with a dihedral angle of 5.3 (3)°, while in the minor occupied set of atoms, this angle is 8 (1)°. In both components, the imidazolidine ring adopts a twisted conformation on the C—C bond and the crystal structure shows the strain of this ring according to the N—CH2—CH2—N torsion angles [25.9 (5) and −23.8 (7)°]. In the crystal, molecules are linked by weak C—H...O hydrogen bonds.

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.

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