scholarly journals 2-(2-Chlorophenyl)acetic acid

2012 ◽  
Vol 68 (6) ◽  
pp. o1940-o1940
Author(s):  
Rajni Kant ◽  
Vivek K. Gupta ◽  
Kamini Kapoor ◽  
B. Narayana
Keyword(s):  
Acetic Acid ◽  
Hydrogen Bonds ◽  
Benzene Ring ◽  
Dihedral Angle ◽  
Title Compound ◽  
Carboxyl Group ◽  
Ring Plane ◽  
Compound C ◽  
Benzene Ring Plane

In the title compound, C8H7ClO2, the carboxyl group forms a dihedral angle of 74.83 (9)° with the benzene ring plane. In the crystal, molecules are linked into inversion dimers by pairs of O—H...O hydrogen bonds. The dimers are linked into layers parallel to the bc plane by weak C—H...O interactions.

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 Methyl 3-(2,5-dimethoxy-3,4,6-trimethylphenyl)propanoate

IUCrData ◽  
2017 ◽  
Vol 2 (4) ◽  
Author(s):  
Shailesh K. Goswami ◽  
Lyall R. Hanton ◽  
C. John McAdam ◽  
Stephen C. Moratti ◽  
Jim Simpson
Keyword(s):  
Hydrogen Bonds ◽  
Benzene Ring ◽  
Title Compound ◽  
Ring Plane ◽  
Axis Direction ◽  
Compound C ◽  
Benzene Ring Plane ◽  
Methyl Propanoate

In the title compound, C15H22O4, the fully substituted benzene ring carries a methyl propanoate, two methoxy and three methyl substituents. Both methoxy substituents are almost orthogonal to the benzene ring plane. The methyl propanoate group is almost planar, r.m.s. deviation 0.0138 Å, and is inclined to the benzene ring plane by 80.26 (14)°. In the crystal, C—H...O hydrogen bonds form head-to-tail chains of molecules along theb-axis direction that are supported by very weak C—H...π(ring) contacts.

2,4-Dichloro-5-fluorobenzoic acid

2007 ◽  
Vol 63 (11) ◽  
pp. o4449-o4449 ◽  
Author(s):  
Yun-Feng Zhao
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Benzene Ring ◽  
Dihedral Angle ◽  
Title Compound ◽  
Carboxyl Group ◽  
Compound C ◽  
Structure Inversion

In the title compound, C7H3Cl2FO2, the dihedral angle between the carboxyl group and the benzene ring is 49.27 (13)°. In the crystal structure, inversion dimers arise via pairs of weak O—H...O hydrogen bonds (H...O = 2.23 Å).

scholarly journals 1-(2-Bromo-4-chlorophenyl)-3,3-dimethylthiourea

2014 ◽  
Vol 70 (6) ◽  
pp. o704-o704 ◽  
Author(s):  
Gamal A. El-Hiti ◽  
Keith Smith ◽  
Amany S. Hegazy ◽  
Mohammad Hayal Alotaibi ◽  
Benson M. Kariuki
Keyword(s):  
Hydrogen Bonds ◽  
Benzene Ring ◽  
Title Compound ◽  
Ring Plane ◽  
Amino Groups ◽  
Compound C ◽  
Benzene Ring Plane

In the title compound, C9H10BrClN2S, the dimethylthiourea group is twisted from the benzene ring plane by 54.38 (6)°. In the crystal, the amino groups are involved in the formation of N—H...S hydrogen bonds, which link the molecules into chains along [010]. Weak C—H...Cl interactions further link these chains into layers parallel to theabplane.

scholarly journals 2-(2-Bromophenyl)acetic acid

2012 ◽  
Vol 68 (6) ◽  
pp. o1704-o1704
Author(s):  
Rajni Kant ◽  
Kamini Kapoor ◽  
B. Narayana
Keyword(s):  
Acetic Acid ◽  
Hydrogen Bonds ◽  
Benzene Ring ◽  
Carboxyl Group ◽  
Ring Plane ◽  
Benzene Ring Plane ◽  
Title Molecule

In the title molecule, C8H7BrO2, the carboxyl group is twisted by 76.2 (3)° from the benzene ring plane. In the crystal, molecules are linked into inversion dimers through pairs of O—H...O hydrogen bonds. The dimers are further linked into layers parallel to the bc plane by weak C—H...O hydrogen bonds.

scholarly journals 2-(2-Isopropylphenoxy)acetic acid

IUCrData ◽  
2016 ◽  
Vol 1 (10) ◽  
Author(s):  
Yasser Hussein Issa Mohammed ◽  
S. Naveen ◽  
S. V. Mamatha ◽  
Mahima Jyothi ◽  
Shaukath Ara Khanum ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Acetic Acid ◽  
Carboxylic Acid ◽  
Hydrogen Bonds ◽  
Benzene Ring ◽  
Dihedral Angle ◽  
Title Compound ◽  
Compound C ◽  
Cell Dimensions ◽  
Unit Cell Dimensions

In the title compound, C11H14O3, the pendant –OCH2COOH chain is in an extended conformation and almost lies in the plane of the benzene ring, as indicated by the dihedral angle of 2.61 (5)°. In the crystal, molecules are linked by a pair of O—H...O hydrogen bonds, forming classical carboxylic acid inversion dimers, with an R 2 2(8) loop. The crystal structure of this compound have been reported previously [Smith et al. (1992). Aust. J. Chem. 45, 1101–1108], however, in that report, the unit-cell dimensions differ significantly from those of the title structure and the carboxyl H atom was disordered within a cyclic hydrogen-bonded dimer.

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.

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