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2-Amino-4-chloro-benzoic acid.

ABSTRACT: The title compound, C(7)H(6)ClNO(2), is almost planar, with an r.m.s. deviation of 0.040?Å. An intra-molecular N-H?O hydrogen bond generates an S(6) ring motif. In the crystal, mol-ecules are linked into centrosymmetric dimers by pairs of O-H?O hydrogen bonds. These dimers are stacked along [010].

SUBMITTER: Farag AM

PROVIDER: S-EPMC3050223 | biostudies-literature | 2010 Dec

REPOSITORIES: biostudies-literature

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2-Amino-4-chloro-benzoic acid.

Farag Abeer Mohamed AM Teoh Siang Guan SG Osman Hasnah H Yeap Chin Sing CS Fun Hoong-Kun HK

Acta crystallographica. Section E, Structure reports online 20101204 Pt 1

The title compound, C(7)H(6)ClNO(2), is almost planar, with an r.m.s. deviation of 0.040 Å. An intra-molecular N-H⋯O hydrogen bond generates an S(6) ring motif. In the crystal, mol-ecules are linked into centrosymmetric dimers by pairs of O-H⋯O hydrogen bonds. These dimers are stacked along [010]. ...[more]

PMID: 21522747

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2-Amino-5-chloro-pyridine-benzoic acid (1/1).

Project description:In the title compound, C(5)H(5)ClN(2)·C(7)H(6)O(2), the carboxyl group of the benzoic acid mol-ecule is twisted away from the attached ring by 14.22?(7)°. In the crystal, the 2-amino-5-chloro-pyridine mol-ecules inter-act with the carboxyl groups of benzoic acid mol-ecules through N-H?O and O-H?N hydrogen bonds, forming cyclic R(2) (2)(8) hydrogen-bonded motifs, and linking the mol-ecules into chains parallel to the [001] direction. Neighbouring 2-amino-5-chloro-pyridine mol-ecules are also centrosymmetrically paired through C-H?Cl hydrogen bonds, forming another R(2) (2)(8) motif. The crystal structure is further stabilized by weak C-H?O hydrogen bonds.

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Crystal structures of four isomeric hydrogen-bonded co-crystals of 6-methyl-quinoline with 2-chloro-4-nitro-benzoic acid, 2-chloro-5-nitro-benzoic acid, 3-chloro-2-nitro-benzoic acid and 4-chloro-2-nitro-benzoic acid.

Project description:The structures of the four isomeric compounds of 6-methyl-quinoline with chloro- and nitro-substituted benzoic acids, C7H4ClNO4·C10H9N, namely, 2-chloro-4-nitro-benzoic acid-6-methyl-quinoline (1/1), (I), 2-chloro-5-nitro-benzoic acid-6-methyl-quinoline (1/1), (II), 3-chloro-2-nitro-benzoic acid-6-methyl-quinoline (1/1), (III), and 4-chloro-2-nitro-benzoic acid-6-methyl-quinoline (1/1), (IV), have been determined at 185-190 K. In each compound, the acid and base mol-ecules are linked by a short hydrogen bond between a carboxyl O atom and an N atom of the base. The O⋯N distances are 2.5452 (12), 2.6569 (13), 2.5640 (17) and 2.514 (2) Å, respectively, for compounds (I)-(IV). In the hydrogen-bonded acid-base units of (I), (III) and (IV), the H atoms are each disordered over two positions with O site:N site occupancies of 0.65 (3):0.35 (3), 0.59 (4):0.41 (4) and 0.48 (5):0.52 (5), respectively, for (I), (III) and (IV). The H atom in the hydrogen-bonded unit of (II) is located at the O-atom site. In all of the crystals of (I)-(IV), π-π inter-actions between the quinoline ring system and the benzene ring of the acid mol-ecule are observed. In addition, a π-π inter-action between the benzene rings of adjacent acid mol-ecules and a C-H⋯O hydrogen bond are observed in the crystal of (I), and C-H⋯O hydrogen bonds and O⋯Cl contacts occur in the crystals of (III) and (IV). These inter-molecular inter-actions connect the acid and base mol-ecules, forming a layer structure parallel to the bc plane in (I), a column along the a-axis direction in (II), a layer parallel to the ab plane in (III) and a three-dimensional network in (IV). Hirshfeld surfaces for the title compounds mapped over d norm and shape index were generated to visualize the weak inter-molecular inter-actions.

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2-Chloro-6-fluoro-benzoic acid.

Project description:The title compound, C(7)H(4)ClFO(2), is a twofold halogenated derivative of benzoic acid. The C-C-C angles within the aromatic moiety cover a range 116.11?(14)-123.96?(15)°, with the maximum and the minimum value next to each other. In the crystal, O-H?O hydrogen bonds form carb-oxy-lic acid dimers, which are further connected by C-H?F contacts into undulating sheets perpendicular to the a axis.

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Project description:In the title 1:1 adduct, C(7)H(5)NO(4)·C(7)H(7)NO(2), the nitro group of the 4-nitro benzoic acid is twisted from the attached ring by 4.40 (8)°. In the crystal, the mol-ecules are linked into ribbon-like structures along [150] and [10] via O-H⋯O, N-H⋯O, N-H⋯N and C-H⋯O inter-molecular hydrogen bonds.

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2-Chloro-6-(2,3-di-chloro-benzene-sulfonamido)-benzoic acid.

Project description:In the title compound, C13H8Cl3NO4S, the aromatic rings are oriented at a dihedral angle of 68.94 (1)° and the mol-ecule adopts a V-shape. An intra-molecular N-H⋯O inter-action generates a six-membered S(6) ring motif. In the crystal, pairs of O-H⋯O hydrogen bonds involving the carb-oxy group link the mol-ecules into inversion dimers with an R 2 (2)(8) motif. N-H⋯O and non-classical C-H⋯O inter-actions connect the mol-ecules, forming sheets propagating in (100).

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4-(Methyl-amino)benzoic acid.

Project description:The asymmetric unit of the title compound, C(8)H(9)NO(2), contains three crystallographically independent mol-ecules, which are essentially planar, the carboxyl O atoms deviating by 0.091?(3), 0.101?(2) and 0.164?(3)?Å from the mean plane through the non-H atoms. In the crystal, all three mol-ecules form O-H?O hydrogen-bonded about inversion centers, forming eight-membered rings with graph-set notation R(2) (2)(8). In addition, N-H?O hydrogen bonding and C-H?? inter-actions reinforce the packing.

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4-Chloro-benzoic acid-quinoline (1/1).

Project description:In the title compound, C(7)H(5)ClO(2)·C(9)H(7)N, the 4-chloro-benzoic acid mol-ecule is almost planar, with a dihedral angle of 2.9?(14)° between the carb-oxy group and the benzene ring. In the crystal, the two components are connected by an O-H?N hydrogen bond. In the hydrogen-bonded unit, the dihedral angle between the quinoline ring system and the benzene ring of the benzoic acid is 44.75?(4)°. The two components are further linked by inter-molecular C-H?O hydrogen bonds, forming a layer parallel to the ab plane.

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5-Chloro-2-hy-droxy-benzoic acid.

Project description:The asymmetric unit of the title compound, C(7)H(5)ClO(3), contains two mol-ecules; both feature an intra-molecular O-H⋯O hydrogen bond, which generates an S(6) ring. In the crystal, both mol-ecules form inversion dimers linked by pairs of O-H⋯O hydrogen bonds with R(2) (2)(8) ring motifs. The dimers are inter-linked by C-H⋯O inter-actions.

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