scholarly journals Methyl 2,4-dihydroxy-5-(2-methylpropanamido)benzoate

2013 ◽  
Vol 69 (2) ◽  
pp. o221-o221
Author(s):  
Syeda Sohaila Naz ◽  
Nazar Ul Islam ◽  
M. Nawaz Tahir ◽  
Muhammad Raza Shah
Keyword(s):  
Hydrogen Bonds ◽  
Benzene Ring ◽  
Dihedral Angle ◽  
Title Compound ◽  
Isopropyl Group ◽  
Compound C ◽  
Π Stacking

In the title compound, C12H15NO5, the dihedral angle between the benzene ring and the C atoms of the terminal isopropyl group is 83.48 (16)°. Intramolecular N—H...O and O—H...O hydrogen bonds generateS(5) andS(6) rings, respectively. In the crystal, molecules are linked by O—H...O hydrogen bonds, generatingC(7) chains propagating in [001]. Weak aromatic π–π stacking [centroid–centroid separation = 3.604 (3) Å] is also observed.

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 Diafenthiuron: 1-tert-butyl-3-(2,6-diisopropyl-4-phenoxyphenyl)thiourea

2014 ◽  
Vol 70 (7) ◽  
pp. o807-o807
Author(s):  
Youngeun Jeon ◽  
Gihaeng Kang ◽  
Seonghwa Cho ◽  
Tae Ho Kim
Keyword(s):  
Hydrogen Bonds ◽  
Benzene Ring ◽  
Dihedral Angle ◽  
Title Compound ◽  
Phenyl Ring ◽  
Ring Plane ◽  
Isopropyl Group ◽  
Compound C ◽  
Benzene Ring Plane ◽  
Thiourea Group

The title compound, C23H32N2OS, is a thiourea-based insecticide. The dihedral angle between the phenyl ring and the diisopropyl benzene ring plane is 73.18 (6)°, while that between the plane of the thiourea group and the diisopropyl benzene ring is 86.00 (5)°. Disorder was modelled for the S atom and the two methyl C atoms of the isopropyl group over two sets of sites with an occupancy ratio of 0.742 (4):0.258 (4). In the crystal, N—H...S hydrogen bonds link adjacent molecules, formingR22(8) inversion dimers that pack into chains along theb-axis direction.

scholarly journals 2-Benzyl-6-nitro-2H-indazole

IUCrData ◽  
2018 ◽  
Vol 3 (1) ◽  
Author(s):  
Mohamed Mokhtar Mohamed Abdelahi ◽  
Youness El Bakri ◽  
Mohammed Benchidmi ◽  
El Mokhtar Essassi ◽  
Joel T. Mague
Keyword(s):  
Hydrogen Bonds ◽  
Benzene Ring ◽  
Dihedral Angle ◽  
Title Compound ◽  
Stacking Interactions ◽  
Axis Direction ◽  
Compound C ◽  
Π Stacking

In the title compound, C14H11N3O2, the indazole portion is planar to within 0.022 (2) Å and subtends a dihedral angle of 65.87 (7)° with the pendant benzene ring. In the crystal, oblique stacks of molecules extending along the a-axis direction are generated by π–π stacking interactions between the five- and six-membered rings [centroid–centroid separation = 3.6743 (19) Å] and the stacks are cross-linked by C—H...O hydrogen bonds.

scholarly journals Methyl N-{4-[(4-methoxyphenoxy)methyl]-2-oxo-2H-chromen-7-yl}carbamate

2012 ◽  
Vol 68 (6) ◽  
pp. o1734-o1734
Author(s):  
K. Mahesh Kumar ◽  
N. M. Mahabaleshwaraiah ◽  
O. Kotresh ◽  
S Jeyaseelan ◽  
H. C. Devarajegowda
Keyword(s):  
Hydrogen Bonds ◽  
Benzene Ring ◽  
Dihedral Angle ◽  
Title Compound ◽  
Ring System ◽  
Stacking Interactions ◽  
Compound C ◽  
Π Stacking ◽  
Centroid Distance ◽  
Chromene Ring

In the title compound, C19H17NO6, the dihedral angle between the 2H-chromene ring system and benzene ring is 5.34 (6)°. A short intramolecular C—H...O contact occurs. In the crystal, molecules are linked by N—H...O hydrogen bonds, generating C(8) chains propagating in [010]. The chains are linked by C—H...O interactions and the packing also exhibits π–π stacking interactions between benzene and pyran rings, with a centroid–centroid distance of 3.676 (9) Å.

scholarly journals 2-Chloro-N-(4-methoxybenzoyl)benzenesulfonamide

2014 ◽  
Vol 70 (2) ◽  
pp. o199-o199 ◽  
Author(s):  
S Sreenivasa ◽  
B. S. Palakshamurthy ◽  
K. J. Pampa ◽  
N. K. Lokanath ◽  
P. A. Suchetan
Keyword(s):  
Hydrogen Bonds ◽  
Benzene Ring ◽  
Dihedral Angle ◽  
Title Compound ◽  
Stacking Interactions ◽  
Aromatic Rings ◽  
Compound C ◽  
Π Stacking ◽  
Graph Set

In the title compound, C14H12ClNO4S, the dihedral angle between the aromatic rings is 82.07 (1)° and the dihedral angle between the planes defined by the S—N—C=O fragment and the sulfonyl benzene ring is 82.46 (3)°. In the crystal, the molecules are linked intoC(4) chains running along [001] by strong N—H...O hydrogen bonds. A C—H...O interaction reinforces the [001] chains: its graph-set symbol isC(7). The chains are cross-linked into (100) sheets by further C—H...O interactions asC(6) chains along [001]. The structure also features weak π–π stacking interactions [centroid–centroid distances = 3.577 (1) and 3.8016 (1) Å].

scholarly journals N-(5-Chloro-1,3-thiazol-2-yl)-2,4-difluorobenzamide

2012 ◽  
Vol 68 (6) ◽  
pp. o1857-o1857 ◽  
Author(s):  
Xi-Wang Liu ◽  
Jian-Yong Li ◽  
Han Zhang ◽  
Ya-Jun Yang ◽  
Ji-Yu Zhang
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Benzene Ring ◽  
Dihedral Angle ◽  
Title Compound ◽  
Benzoyl Chloride ◽  
Bond Lengths ◽  
Compound C

The title compound, C10H5ClF2N2OS, was obtained by linking an amino heterocycle and a substituted benzoyl chloride. The dihedral angle between the two rings is 41.2 (2)° and the equalization of the amide C—N bond lengths reveals the existence of conjugation between the benzene ring and the thiazole unit. In the crystal, pairs of N—H...N hydrogen bonds link molecules into inversion dimers. Non-classical C—H...F and C—H...O hydrogen bonds stabilize the crystal structure.

scholarly journals 2-(2-Fluorophenyl)-N-(1,3-thiazol-2-yl)acetamide

2012 ◽  
Vol 68 (8) ◽  
pp. o2565-o2565 ◽  
Author(s):  
Hoong-Kun Fun ◽  
Ching Kheng Quah ◽  
Prakash S. Nayak ◽  
B. Narayana ◽  
B. K. Sarojini
Keyword(s):  
Hydrogen Bonds ◽  
Benzene Ring ◽  
Dihedral Angle ◽  
Title Compound ◽  
Thiazole Ring ◽  
Compound C

In the title compound, C11H9FN2OS, the 1,3-thiazole ring is planar (r.m.s. deviation = 0.007 Å) and forms a dihedral angle of 73.75 (5)° with the benzene ring. In the crystal, molecules are linkedviapairs of N—H...N and C—H...F hydrogen bonds into chains along [100].

scholarly journals N-(3-Chloro-1H-indazol-5-yl)-4-methoxybenzenesulfonamide

2013 ◽  
Vol 69 (11) ◽  
pp. o1632-o1632
Author(s):  
Hakima Chicha ◽  
El Mostapha Rakib ◽  
Latifa Bouissane ◽  
Mohamed Saadi ◽  
Lahcen El Ammari
Keyword(s):  
Hydrogen Bonds ◽  
Benzene Ring ◽  
Dihedral Angle ◽  
Title Compound ◽  
Two Dimensional ◽  
Common Edge ◽  
Compound C ◽  
Dimensional Network ◽  
The Common ◽  
The Mean

In the title compound, C14H12ClN3O3S, the fused five- and six-membered rings are folded slightly along the common edge, forming a dihedral angle of 3.2 (1)°. The mean plane through the indazole system makes a dihedral angle of 30.75 (7)° with the distant benzene ring. In the crystal, N—H...O hydrogen bonds link the molecules, forming a two-dimensional network parallel to (001).

scholarly journals Diethyl 3,3′-[(3-fluorophenyl)methylene]bis(1H-indole-2-carboxylate)

IUCrData ◽  
2020 ◽  
Vol 5 (7) ◽  
Author(s):  
Hong Jiang ◽  
Yu-Long Li ◽  
Jin Zhou ◽  
Hong-Shun Sun ◽  
Qing-Yu Zhang ◽  
...  
Keyword(s):  
Hydrogen Bonds ◽  
Benzene Ring ◽  
Dihedral Angle ◽  
Title Compound ◽  
Indole Ring ◽  
Ring Systems ◽  
Compound C ◽  
The Mean ◽  
Supramolecular Chains

In the title compound, C29H25FN2O4, the mean planes of the indole ring systems are approximately perpendicular to one another [dihedral angle = 88.3 (4)°]. The benzene ring is twisted with respect to the indole ring systems by 49.8 (5) and 77.6 (3)°. In the crystal, pairs of N—H...O hydrogen bonds link the molecules into the inversion dimers which are further linked into supramolecular chains propagating along the [110] direction.

scholarly journals Crystal structure of tolylfluanid

2014 ◽  
Vol 70 (10) ◽  
pp. o1114-o1115
Author(s):  
Seonghwa Cho ◽  
Jineun Kim ◽  
Gihaeng Kang ◽  
Tae Ho Kim
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Benzene Ring ◽  
Dihedral Angle ◽  
Title Compound ◽  
Dimethylamino Group ◽  
Axis Direction ◽  
Compound C ◽  
The Mean ◽  
Cl Atom

The title compound, C10H13Cl2FN2O2S2{systematic name:N-[(dichlorofluoromethyl)sulfanyl]-N′,N′-dimethyl-N-p-tolylsulfamide}, is a well known fungicide. The dihedral angle between the mean plane of the dimethylamino group and that of the benzene ring is 32.3 (3)°. One Cl atom and one F atom of the dichlorofluoromethylthio group are disordered over two sets of sites with an occupancy ratio of 0.605 (9):0.395 (9). In the crystal structure, two C—H...Cl hydrogen bonds link adjacent molecules, forming dimers withR22(14) loops. C—H...O hydrogen bonds link pairs of dimers into chains along theb-axis direction. These chains are joined by an additional C—H...O contact, generating a sheet in theabplane.

Sign in / Sign up

Export Citation Format

Share Document