Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

Methyl 2-bromo-3-(4-chloro-benzene-sulfonamido)-benzoate.

ABSTRACT: In the crystal structure of the title compound, C(14)H(11)BrClNO(4)S, the mol-ecules form inversion dimers with R(2) (2)(8) motifs through pairs of N-H?O hydrogen bonds. The benzene rings are not coplanar and subtend a dihedral angle of 66.27?(8)°. The carbomethoxy group makes a dihedral angle of 75.1?(1)° with the ring to which it is attached.

SUBMITTER: Ghafoor AZ

PROVIDER: S-EPMC3569830 | biostudies-other | 2013 Feb

REPOSITORIES: biostudies-other

ACCESS DATA

Json Xml

Publications

Methyl 2-bromo-3-(4-chloro-benzene-sulfonamido)-benzoate.

Ghafoor Ahmad Z AZ Chang Brian B King Christopher L CL Butcher Ray J RJ Kulkarni Amol A AA

Acta crystallographica. Section E, Structure reports online 20130131 Pt 2

In the crystal structure of the title compound, C(14)H(11)BrClNO(4)S, the mol-ecules form inversion dimers with R(2) (2)(8) motifs through pairs of N-H⋯O hydrogen bonds. The benzene rings are not coplanar and subtend a dihedral angle of 66.27 (8)°. The carbomethoxy group makes a dihedral angle of 75.1 (1)° with the ring to which it is attached. ...[more]

PMID: 23424576

Similar Datasets

Methyl 5-chloro-2-(4-methyl-benzene-sulfonamido)-benzoate.

Project description:In the title compound, C(15)H(14)ClNO(4)S, the benzene rings are oriented at a dihedral angle of 85.42?(1)°. An intra-molecular N-H?O hydrogen bond results in the formation of a five-membered ring and an intramolecular C-H?O inter-action also occurs.

| S-EPMC2979427 | biostudies-literature

Methyl 2-benzene-sulfonamido-benzoate.

Project description:In the title compound, C(14)H(13)NO(4)S, the conformation of the C-S-N-C segment is gauche and the two benzene rings are tilted relative to each other by 85.62?(8)°. An intra-molecular N-H?O hydrogen bond generates an S(6) ring and an C-H?O inter-action also occurs. In the crystal, inter-molecular C-H?O hydrogen bonds are observed, which link the mol-ecules into [100] C(7) chains.

| S-EPMC3007297 | biostudies-literature

Cyano-methyl 4-(4-methyl-benzene-sulfonamido)-benzoate.

Project description:The title mol-ecule, C(16)H(14)N(2)O(4)S, adopts an L-shaped conformation, with the central C-S-N-C torsion angle being -69.1?(3)°. The two benzene rings form a dihedral angle of 89.94?(15)°. The mol-ecular conformation may be influenced by a weak intra-molecular C-H?O hydrogen bond which generates an S(6) ring motif. In the crystal, mol-ecules are linked by N-H?O and weak C-H?O hydrogen bonds, forming chains propagating along the b axis. Weak C-H?N hydrogen bonds connect the chains into a two-dimensional network parallel to (011). The crystal studied was an inversion twin, the ratio of components being 0.7?(1):0.3?(1).

| S-EPMC3344598 | biostudies-literature

Methyl (4-bromo-benzene-sulfonamido)acetate.

Project description:The title compound, C(9)H(10)BrNO(4)S, is an inter-mediate for the formation of benzothia-zines. In the crystal structure, inter-molecular N-H⋯O hydrogen bonds link the mol-ecules, forming R(2) (2)(10) ring motifs, which are linked into a two-dimensional polymeric sheet through inter-molecular C-H⋯O hydrogen bonds.

| S-EPMC2960029 | biostudies-literature

Butyl 4-(4-methyl-benzene-sulfonamido)-benzoate.

Project description:In the title compound, C(18)H(21)NO(4)S, the aromatic rings are almost normal to each other, with a dihedral angle of 89.27?(18)°. The mol-ecular conformation is stabilized by an intra-molecular C-H?O inter-action, which generates an S(6) motif. In the crystal, N-H?O and C-H?O hydrogen bonds lead to the formation of chains propagating along [010]. Neighbouring chains are linked via a C-H?? inter-action. The -CH(2)CH(2)CH(3) atoms of the butyl group are disordered over two sets of sites, with a refined site-occupancy ratio of 0.536?(16):0.464?(16).

| S-EPMC3344642 | biostudies-literature

Methyl 5-chloro-2-[N-(3-eth-oxy-carbonyl-prop-yl)-4-methyl-benzene-sulfonamido]-benzoate.

Project description:In the title compound, C(21)H(24)ClNO(6)S, the benzene rings are oriented at a dihedral angles of 41.6 (2)°. In the crystal structure, weak inter-molecular C-H⋯O inter-actions link the mol-ecules.

| S-EPMC3006966 | biostudies-literature

Propyl 2-(4-methyl-benzene-sulfonamido)-benzoate.

Project description:In the title compound, C(17)H(19)NO(4)S, the terminal ethyl group is disordered over two sets of sites, with refined site occupancies of 0.536?(7) and 0.464?(7). The dihedral angle between the two aromatic rings is 81.92?(12)°. The mol-ecular conformation is stabilized by intra-molecular N-H?O and C-H?O hydrogen bonds, which generate S(6) motifs. In the crystal, mol-ecules are linked by C-H?O hydrogen bonds, forming chains along the b axis.

| S-EPMC3344515 | biostudies-other

2-(4-Bromo-benzene-sulfonamido)benzoic acid.

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

2-(4-Bromo-benzene-sulfonamido)acetic acid.

Project description:The title compound, C(8)H(8)BrNO(4)S, a halogenated sulfon-amide, was prepared by basic hydrolysis of the methyl ester. In the crystal, mol-ecules form centrosymmetric hydrogen-bonded dimers via the carboxyl groups. These dimers are further linked by N-H?O inter-actions involving the carbonyl O and amide H atoms, forming a ribbon-like structure propagating in [010]. These ribbons are further linked via C-H?O inter-actions, forming a three-dimensional network.

| S-EPMC2977417 | biostudies-literature

4-(4-Bromo-benzene-sulfonamido)benzoic acid.

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

OmicsDI is part of the ELIXIR infrastructure

OmicsDI is an Elixir interoperability service. Learn more ›

Tweets

OmicsDI Databases

PRIDE
PeptideAtlas
MassIVE
JPOST Repository
Physiome Model Repository

EGA
EVA
ENA
LINCS
PAXDB
Cell Collective

MetaboLights
Metabolomics Workbench
MetabolomeExpress
GNPS
BioModels
FAIRDOMHub

ArrayExpress
dbGaP
ExpressionAtlas
GEO
NODE

Information

Databases
Help
API
Contact us
Code on GitHub
Terms of use
Submit Data