Browse
Submit Data
Databases
API
Help

Dataset Information

5 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

2-(4-Chloro-benzamido)-acetic acid.

ABSTRACT: In the crystal structure of the title mol-ecule, C(9)H(8)ClNO(3), adjacent mol-ecules are arranged into centrosymmetric dimers through pairs of inter-molecular O-H?O inter-actions. Inter-molecular N-H?O hydrogen bonds link the dimers into a layer parallel to the bc plane. In the layer, mol-ecules are packed in a face-to-face ?-stacked arrangment, showing ?-? stacking inter-actions between the benzene rings with a centroid-centroid distance of 3.6884?(8)?Å.

SUBMITTER: Khan IU

PROVIDER: S-EPMC3099855 | biostudies-other | 2011 Apr

REPOSITORIES: biostudies-other

ACCESS DATA

Json Xml

Publications

2-(4-Chloro-benzamido)-acetic acid.

Khan Islam Ullah IU Khan Muneeb Hayat MH Arshad Muhammad Nadeem MN Akkurt Mehmet M

Acta crystallographica. Section E, Structure reports online 20110319 Pt 4

In the crystal structure of the title mol-ecule, C(9)H(8)ClNO(3), adjacent mol-ecules are arranged into centrosymmetric dimers through pairs of inter-molecular O-H⋯O inter-actions. Inter-molecular N-H⋯O hydrogen bonds link the dimers into a layer parallel to the bc plane. In the layer, mol-ecules are packed in a face-to-face π-stacked arrangment, showing π-π stacking inter-actions between the benzene rings with a centroid-centroid distance of 3.6884 (8) Å. ...[more]

PMID: 21754187

Similar Datasets

Crystal structure of 2-(4-chloro-benzamido)-benzoic acid.

Project description:In the title mol-ecule, C14H10ClNO3, the amide C=O bond is anti to the o-carb-oxy substituent in the adjacent benzene ring, a conformation that facilitates the formation of an intra-molecular amide-N-H?O(carbon-yl) hydrogen bond that closes an S(6) loop. The central amide segment is twisted away from the carb-oxy- and chloro-substituted benzene rings by 13.93?(17) and 15.26?(15)°, respectively. The most prominent supra-molecular inter-actions in the crystal packing are carb-oxy-lic acid-H?O(carbox-yl) hydrogen bonds that lead to centrosymmetric dimeric aggregates connected by eight-membered {?HOC=O}2 synthons.

| S-EPMC4645063 | biostudies-literature

2-(2-Chloro-phen-yl)acetic acid.

Project description:In the title compound, C(8)H(7)ClO(2), the carboxyl group forms a dihedral angle of 74.83?(9)° with the benzene ring plane. In the crystal, mol-ecules 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 inter-actions.

| S-EPMC3379493 | biostudies-literature

2-Chloro-3-(4-chloro-benzamido)-1,4-naphthoquinone.

Project description:The naphthoquinone ring is almost perpendicular [dihedral angle 71.02?(3)°] to the phenyl group of the title compound, C(17)H(9)Cl(2)NO(3), while the dihedral angle between the amide group and the 4-chloro-phenyl ring is 21.9?(2)°. The conformation of the N-H and C=O bonds are anti to each other. N-H?Cl hydrogen bonds link the mol-ecules into chains in the a-axis direction. In addition, these chains are linked by weak inter-molecular C-H?O inter-actions.

| S-EPMC2967976 | biostudies-literature

Methyl 2-(4-chloro-benzamido)-benzoate.

Project description:In the title compound, C(15)H(12)ClNO(3), the central C-C(O)-N-C amide unit makes dihedral angles of 6.60?(2) and 3.42?(2)°, respectively, with the 4-chloro-benzene and anilino rings. The dihedral angle between the two benzene rings is 3.32?(3)°. Intra-molecular N-H?O and C-H?O hydrogen bonds form S(6) rings and contribute to the planarity of this portion of the mol-ecule. In the crystal, inter-molecular C-H?O hydrogen bonds are observed, which link the mol-ecules into [010] C(7) chains.

| S-EPMC3011652 | biostudies-literature

Methyl 2-(3-chloro-benzamido)-benzoate.

Project description:In the mol-ecule of the title compound, C15H12ClNO3, the chloro-benzamide and benzoate units are almost co-planar, with a dihedral angle between the six-membered rings of 2.99 (10)°. An intra-molecular N-H⋯O hydrogen bond occurs. In the crystal, each mol-ecule is linked to a symmetry-equivalent counterpart across a twofold rotation axis by weak C-H⋯O and C-H⋯Cl hydrogen bonds, forming dimers. The packing is stabilized through weak π-π stacking along the b-axis direction, leading to π-stacked columns of inversion-related mol-ecules, with an inter-planar distance of 3.46 (2) Å and a centroid-centroid vector of 3.897 (2) Å.

| S-EPMC3588991 | biostudies-literature

7-Chloro-6,8-dinitro-quinazolin-4(3H)-one acetic acid monosolvate.

Project description:In the title compound, C(8)H(3)ClN(4)O(5)·C(2)H(4)O(2), both the nitro groups are close to perpendicular [dihedral angles = 67.62 (15) and 86.73 (12)°] to the almost planar quinazoline unit [r.m.s. deviation = 0.014Å]. In the crystal, both the quinazoline and acetic acid mol-ecules form inversion dimers linked by pairs of N-H⋯O and O-H⋯O hydrogen bonds, respectively. R(2) (2)(8) loops arise in each case.

| S-EPMC3274997 | biostudies-literature

acetic acid bacteria

Project description:acetic acid bacteria

| PRJNA288385 | ENA

(Z)-Isobutyl 2-benzamido-3-(4-chloro-phen-yl)acrylate.

Project description:The title compound, C(20)H(20)ClNO(3), is a α-amino acid derivative which displays a Z configuration about the C=C double bond. The dihedral angle betwen the aromatic rings is 87.75 (12)°. The mol-ecular conformation is stabilized by an intra-molecular C-H⋯N hydrogen bond. In the crystal structure, centrosymmetrically related mol-ecules inter-act through inter-molecular C-H⋯O hydrogen-bond inter-actions, forming dimers. The dimers are further linked into chains parallel to the a axis by N-H⋯O hydrogen bonds. The methyl groups of the isopropyl group are disordered over two positions with occupancy factors of 0.5.

| S-EPMC2970985 | biostudies-literature

Two-dimensional hydrogen-bonded polymers in the crystal structures of the ammonium salts of phen-oxy-acetic acid, (4-fluoro-phen-oxy)acetic acid and (4-chloro-2-methyl-phen-oxy)acetic acid.

Project description:The structures of the ammonium salts of phen-oxy-acetic acid, NH4 (+)·C8H6O3 (-), (I), (4-fluoro-phen-oxy)acetic acid, NH4 (+)·C8H5FO3 (-), (II), and the herbicidally active (4-chloro-2-methyl-phen-oxy)acetic acid (MCPA), NH4 (+)·C9H8ClO3 (-)·0.5H2O, (III) have been determined. All have two-dimensional layered structures based on inter-species ammonium N-H?O hydrogen-bonding associations, which give core substructures consisting primarily of conjoined cyclic motifs. The crystals of (I) and (II) are isomorphous with the core comprising R 1 (2)(5), R 1 (2)(4) and centrosymmetric R 4 (2)(8) ring motifs, giving two-dimensional layers lying parallel to (100). In (III), the water mol-ecule of solvation lies on a crystallographic twofold rotation axis and bridges two carboxyl O atoms in an R 4 (4)(12) hydrogen-bonded motif, creating two R 4 (3)(10) rings, which together with a conjoined centrosymmetric R 4 (2)(8) ring incorporating both ammonium cations, generate two-dimensional layers lying parallel to (100). No ?-? ring associations are present in any of the structures.

| S-EPMC4257399 | biostudies-literature

Miscellaneous Acetic Acid Bacteria

Project description:A miscellaneous collection of acetic acid bacteria Genome sequencing and assembly

| PRJNA638503 | ENA