5-Bromo-2-(phenylamino)benzoic acid
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ABSTRACT:
SUBMITTER: Kang L
PROVIDER: S-EPMC10993566 | biostudies-literature | 2024 Mar
REPOSITORIES: biostudies-literature
Similar Datasets
Project description:The asymmetric unit of the title compound, C(7)H(6)BrNO(2), consists of two mol-ecules having a small variation of bond lengths and angles. The title compound forms dimers through pairs of O-H⋯O hydrogen bonds involving the carboxyl-ate groups. The dimers are linked into polymeric forms through inter-molecular hydrogen bonds, forming R(2) (1)(6), R(3) (2)(8) and R(3) (3)(15) ring motifs.
| S-EPMC2968661 | biostudies-literature
Project description:In the title adduct, C(5)H(5)BrN(2)·C(7)H(6)O(2), the carboxyl group of the benzoic acid mol-ecule is twisted away from the attached ring by 12.97 (11)°. The 2-amino-5-bromo-pyridine mol-ecules inter-act with the carboxylic group of neighbouring 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 a two-dimensional network lying parallel to (100). The crystal structure is further stabilized by weak C-H⋯O hydrogen bonds.
| S-EPMC2983551 | biostudies-literature
Project description:The title compound, C15H15NO2, crystallizes with two mol-ecules in the asymmetric unit. In the crystal, the two mol-ecules associate to form an acid-acid dimer by pairwise O-H⋯O hydrogen bonds.
| S-EPMC11375599 | biostudies-literature
Project description:The title 1:1 adduct, C(5)H(5)BrN(2)·C(7)H(6)O(3), contains two mol-ecules of each species in the asymmetric unit, with similar geometries. In the crystal, mol-ecules are linked to form extended chains along [100] by N-H⋯O, O-H⋯O, O-H⋯N and C-H⋯O hydrogen bonds. Adjacent chains are crosslinked via further N-H⋯O inter-actions into sheets lying parallel to (001). The crystal studied was an inversion twin with a 0.54 (2):0.46 (2) domain ratio.
| S-EPMC3007384 | biostudies-literature
Project description:In the title compound, C(13)H(10)BrNO(4)S, the dihedral angle between the benzene rings is 82.75 (15)°. An intra-molecular N-H⋯O hydrogen bond generates an S(6) ring motif. In the crystal structure, two mol-ecules form an R(2) (2)(8) centrosymmetric dimer through a pair of O-H⋯O hydrogen bonds. Intra- and inter-molecular C-H⋯O hydrogen bonds are also observed.
| S-EPMC2969408 | biostudies-literature
Project description:The title compound, C(13)H(10)BrNO(4)S, belongs to the sulfonamide class of organic compounds. The two aromatic rings are inclined at 34.30 (15)° to one another, and the carboxyl substituent lies in the plane of the benzene ring to which it is bound (maximum deviation = 0.004 Å). In the crystal structure, charactersitic carboxylic acid dimers are formed through O-H⋯O hydrogen bonds. These dimers are linked into rows down a by N-H⋯O inter-actions. Additional C-H⋯O contacts further stabilize the structure, and a close Br⋯Br(x, -y + 1, -z + 1) contact of 3.5199 (9) Å is also observed.
| S-EPMC2977752 | biostudies-literature
Project description:In the title compound, C11H10BrNO3, two independent mol-ecules (A and B) crystallize in the asymmetric unit. The dihedral angles between the mean planes of the 4-bromo-phenyl ring and amide group are 24.8 (7) in mol-ecule A and 77.1 (6)° in mol-ecule B. The mean plane of the methyl-idene group is further inclined by 75.6 (4) in mol-ecule A and 72.5 (6)° in mol-ecule B from that of the amide group. In the crystal, N-H⋯O hydrogen bonds formed by amide groups and O-H⋯O hydrogen bonds formed by carb-oxy-lic acid groups are observed and supported additionally by weak C-H⋯O inter-actions between the methyl-idene and amide groups. Together, these link the mol-ecules into chains of dimers along [110] and form R 2 (2)(8) graph-set motifs.
| S-EPMC4120590 | biostudies-literature
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.
| S-EPMC2960102 | biostudies-literature
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⋯π inter-actions reinforce the packing.
| S-EPMC2970238 | biostudies-literature
Project description:The title compound, 2,6-di-bromo-3,4,5-tri-meth-oxy-benzoic acid (DBrTMBA), C10H10Br2O5, was obtained by bromination and transhalogenation of 2-iodo-3,4,5-tri-meth-oxy-benzoic acid with KBrO3. Like the previously reported 2,6-di-iodo-3,4,5-tri-meth-oxy-benzoic acid (DITMBA), the structure of the title compound features a catemeric arrangement of DBrTMBA mol-ecules along an endless chain of carb-oxy-lic H-carbonyl inter-actions. A short carbon-yl-phenyl contact hints at a possible lone pair(O)-π-hole inter-action further stabilizing the chain-like structure over a dimeric arrangement of the carb-oxy-lic acid.
| S-EPMC10561206 | biostudies-literature