scholarly journals Crystal structure of (E)-4-{2-[4-(allyloxy)phenyl]diazenyl}benzoic acid

2014 ◽  
Vol 70 (12) ◽  
pp. 499-502
Author(s):  
Md. Lutfor Rahman ◽  
Mashitah Mohd. Yusoff ◽  
Jamil Ismail ◽  
Huey Chong Kwong ◽  
Ching Kheng Quah
Keyword(s):  
Crystal Structure ◽  
Carboxylic Acid ◽  
Hydrogen Bonds ◽  
Benzoic Acid ◽  
Title Compound ◽  
Acid Group ◽  
Dihedral Angles ◽  
Carboxylic Acid Group ◽  
Compound C ◽  
Benzene Rings

The title compound, C16H14N2O3, has anEconformation about the azobenzene [—N=N– = 1.2481 (16) Å] linkage. The benzene rings are almost coplanar [dihedral angle = 1.36 (7)°]. The O atoms of the carboxylic acid group are disordered over two sets of sites and were refined with an occupancy ratio of 0.5:0.5. The two disordered components of the carboxylic acid group make dihedral angles of 1.5 (14) and 3.8 (12)° with the benzene ring to which they are attached. In the crystal, molecules are linkedviapairs of O—H...O hydrogen bonds, forming inversion dimers. The dimers are connectedviaC—H...O hydrogen bonds, forming ribbons lying parallel to [120]. These ribbons are linkedviaC—H...π interactions, forming slabs parallel to (001).

scholarly journals 2-[4-(Trifluoromethyl)phenylsulfanyl]benzoic acid

2013 ◽  
Vol 69 (11) ◽  
pp. o1704-o1704 ◽  
Author(s):  
Thammarse S. Yamuna ◽  
Jerry P. Jasinski ◽  
Brian J. Anderson ◽  
H.S. Yathirajan ◽  
Manpreet Kaur
Keyword(s):  
Carboxylic Acid ◽  
Hydrogen Bonds ◽  
Benzoic Acid ◽  
Title Compound ◽  
Acid Group ◽  
Trifluoromethyl Group ◽  
Carboxylic Acid Group ◽  
Compound C ◽  
Benzene Rings ◽  
The Mean

In the title compound, C14H9F3O2S, the dihedral angle between the mean planes of the benzene rings is 88.7 (2)°. The carboxylic acid group is twisted by 13.6 (7)° from the mean plane of its attached aromatic ring. One of the F atoms of the trifluoromethyl group is disordered over two sites in a 0.61 (7):0.39 (7) ratio. In the crystal, inversion dimers linked by pairs of O—H...O hydrogen bonds generateR22(8) loops. Weak C—H...F interactions are also observed.

scholarly journals 2-(1H-Tetrazol-1-yl)acetic acid monohydrate

2012 ◽  
Vol 68 (8) ◽  
pp. o2561-o2561
Author(s):  
Wen-Xiang Wang
Keyword(s):  
Crystal Structure ◽  
Acetic Acid ◽  
Carboxylic Acid ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Acid Group ◽  
Two Dimensional ◽  
Carboxylic Acid Group ◽  
Compound C ◽  
Dimensional Network

The crystal structure of the title compound, C3H4N4O2·H2O, exhibits O—H...O and O—H...N hydrogen bonds, which lead to the formation of a two-dimensional network parallel to thebcplane. The dihedral angle between the ring and the carboxylic acid group is 84.6 (14)°.

scholarly journals Crystal structure and Hirshfeld analysis of 2-[bis(1-methyl-1H-indol-3-yl)methyl]benzoic acid

2018 ◽  
Vol 74 (11) ◽  
pp. 1580-1583
Author(s):  
Suhaila Sapari ◽  
Sheryn Wong ◽  
Mohammad Fadzlee Ngatiman ◽  
Huda Misral ◽  
Siti Aishah Hasbullah
Keyword(s):  
Crystal Structure ◽  
Carboxylic Acid ◽  
Hydrogen Bonds ◽  
Benzoic Acid ◽  
Title Compound ◽  
Hirshfeld Surface ◽  
Dihedral Angles ◽  
Acid Moiety ◽  
Compound C ◽  
Hirshfeld Analysis

In the title compound, C26H22N2O2, the dihedral angles between the 1-methylindole units (A and B) and the benzoic acid moiety (C) are A/B = 64.87 (7), A/C = 80.92 (8) and B/C = 75.05 (8)°. An intramolecular C—H...O interaction arising from the methyne group helps to establish the conformation. In the crystal, R 2 2(8) carboxylic acid inversion dimers linked by pairs of O—H...O hydrogen bonds are observed. A Hirshfeld surface analysis shows that the greatest contributions are from H...H, C...H/H...C and O...H/H...O contacts (percentage values = 54.6%, 29.6% and 10.1%, respectively).

scholarly journals Crystal structure of 2-benzenesulfonamido-3-hydroxypropanoic acid

2015 ◽  
Vol 71 (11) ◽  
pp. o902-o903
Author(s):  
Nabila Jabeen ◽  
Misbah Mushtaq ◽  
Muhammad Danish ◽  
Muhammad Nawaz Tahir ◽  
Muhammad Asam Raza
Keyword(s):  
Crystal Structure ◽  
Carboxylic Acid ◽  
Hydrogen Bonds ◽  
Benzene Ring ◽  
Dihedral Angle ◽  
Title Compound ◽  
Acid Group ◽  
Carboxylic Acid Group ◽  
Sulfonyl Group ◽  
Compound C

In the title compound, C9H11NO5S, the O=S=O plane of the sulfonyl group is twisted at a dihedral angle of 52.54 (16)° with respect to the benzene ring. The dihedral angle between the carboxylic acid group and the benzene ring is 49.91 (16)°. In the crystal, C—H...O, N—H...O and O—H...O hydrogen bonds link the molecules into (001) sheets.

scholarly journals Crystal structure of 3-ethynylbenzoic acid

2015 ◽  
Vol 71 (10) ◽  
pp. o750-o751
Author(s):  
Chiara Venturini ◽  
Nicolas Ratel-Ramond ◽  
Andre Gourdon
Keyword(s):  
Crystal Structure ◽  
Carboxylic Acid ◽  
Hydrogen Bonds ◽  
Benzene Ring ◽  
Title Compound ◽  
Acid Group ◽  
Carboxylic Acid Group ◽  
Compound C ◽  
Acid Acid ◽  
Ring Motif

In the title compound, C9H6O2, the carboxylic acid group is almost in the plane of the benzene ring, making a dihedral angle of 2.49 (18)°. In the crystal, molecules are linked by pairs of O—H...O hydrogen bonds, forming classical acid–acid inversion dimers, with anR22(8) ring motif. The dimers are linked by pairs of C—H...O hydrogen bonds forming chains, enclosingR22(16) ring motifs, propagating along thec-axis direction.

scholarly journals Crystal structure of 2-nitro-N-(5-nitro-1,3-thiazol-2-yl)benzamide

2014 ◽  
Vol 70 (12) ◽  
pp. o1252-o1252 ◽  
Author(s):  
Rodolfo Moreno-Fuquen ◽  
Diego F. Sánchez ◽  
Javier Ellena
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Dihedral Angles ◽  
Two Dimensional ◽  
Compound C ◽  
Dimensional Network ◽  
Benzene Rings ◽  
The Mean ◽  
Amide Fragment

In the title compound, C10H6N4O5S, the mean plane of the non-H atoms of the central amide fragment C—N—C(=O)—C [r.m.s. deviation = 0.0294 Å] forms dihedral angles of 12.48 (7) and 46.66 (9)° with the planes of the thiazole and benzene rings, respectively. In the crystal, molecules are linked by N—H...O hydrogen bonds, forming chains along [001]. In addition, weak C—H...O hydrogen bonds link these chains, forming a two-dimensional network, containingR44(28) ring motifs parallel to (100).

scholarly journals Crystal structure of (E)-4-{[2-(2,4-dinitrophenyl)hydrazin-1-ylidene]methyl}-3-methyl-1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazole

2014 ◽  
Vol 70 (12) ◽  
pp. o1246-o1247 ◽  
Author(s):  
Joel T. Mague ◽  
Shaaban K. Mohamed ◽  
Mehmet Akkurt ◽  
Hussein M. S. El-Kashef ◽  
Mustafa R. Albayati
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Pyrazole Ring ◽  
Dihedral Angles ◽  
Extended Conformation ◽  
Compound C ◽  
Benzene Rings

The title compound, C21H17N7O4, is in an `extended' conformation aided by an intramolecular N—H...O hydrogen bond. The pyrazole ring makes dihedral angles of 29.17 (6), 65.47 (4) and 9.91 (7)°, respectively, with the phenyl, pyrrole and benzene rings. In the crystal, molecules are connected by pairs of N—H...O and C—H...O hydrogen bonds, forming inversion dimers which associate into ribbons running along thebaxis through complementary C—H...O interactions.

scholarly journals 6-(Hex-5-enyloxy)naphthalene-2-carboxylic acid

2014 ◽  
Vol 70 (6) ◽  
pp. o696-o697
Author(s):  
Md. Lutfor Rahman ◽  
H. T. Srinivasa ◽  
Mashitah Mohd. Yusoff ◽  
Huey Chong Kwong ◽  
Ching Kheng Quah
Keyword(s):  
Crystal Structure ◽  
Carboxylic Acid ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Ring System ◽  
Dihedral Angles ◽  
Carbonyl Groups ◽  
Asymmetric Unit ◽  
Compound C ◽  
Independent Molecules

The asymmetric unit of the title compound, C17H18O3, comprises three independent molecules with similar geometries. In each molecule, the carbonyl group is twisted away from the napthalene ring system, making dihedral angles of 1.0 (2), 1.05 (19)° and 1.5 (2)°. The butene group in all three molecules are disordered over two sets of sites, with a refined occupancy ratio of 0.664 (6):0.336 (6). In the crystal, molecules are oriented with respect to their carbonyl groups, forming head-to-head dimersviaO—H...O hydrogen bonds. Adjacent dimers are further interconnected by C—H...O hydrogen bonds into chains along thea-axis direction. The crystal structure is further stabilized by weak C—H...π interactions.

4-(4-Chlorophenyl)-5-(4-methylphenyl)-3-(2-pyridyl)-4H-1,2,4-triazole

2006 ◽  
Vol 62 (4) ◽  
pp. o1279-o1280
Author(s):  
Shu-Ping Zhang ◽  
Zhao-Di Liu ◽  
Si-Chang Shao
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Title Compound ◽  
Triazole Ring ◽  
Dihedral Angles ◽  
Compound C ◽  
Benzene Rings

In the title compound, C20H15ClN4, the two benzene rings form dihedral angles of 30.95 (9) and 70.69 (6)° with the triazole ring, and the dihedral angle between the triazole and the pyridine rings is 43.38 (8)°. Intermolecular C—H...N hydrogen bonds are observed in the crystal structure.

2-(Benzoylhydrazinocarbonyl)benzoic acid

2007 ◽  
Vol 63 (11) ◽  
pp. o4441-o4441 ◽  
Author(s):  
T. Liu ◽  
J. Y. Zhu
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Benzoic Acid ◽  
Dihedral Angle ◽  
Network Structure ◽  
Title Compound ◽  
Supramolecular Network ◽  
Compound C ◽  
Benzene Rings

In the molecule of the title compound, C15H12N2O4, the benzene rings are oriented at a dihedral angle of 8.01 (3)°. In the crystal structure, intermolecular N—H...O hydrogen bonds result in the formation of a supramolecular network structure.

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