Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

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

ABSTRACT: 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.

SUBMITTER: Mustafa G

PROVIDER: S-EPMC3344515 | biostudies-literature | 2012 May

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

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

Mustafa Ghulam G Muhmood Tahir T Khan Islam Ullah IU Akkurt Mehmet M

Acta crystallographica. Section E, Structure reports online 20120413 Pt 5

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. ...[more]

PMID: 22590277

Similar Datasets

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

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⋯π 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-(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-bromo-3-(4-chloro-benzene-sulfonamido)-benzoate.

Project description: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.

| S-EPMC3569830 | 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

Methyl 2-(p-toluene-sulfonamido)benzoate.

Project description:The title compound, C(15)H(15)NO(4)S, was prepared by simple condensation of methyl 2-amino-benzoate and 4-methyl-benzene-sulfonyl chloride. The dihedral angle between the benzene rings is 84.36 (6)°. The mol-ecular structure is stabilized by an intra-molecular N-H⋯O hydrogen-bonding inter-action involving the carbonyl group as acceptor, generating an S(6) graph-set motif.

| S-EPMC2979953 | biostudies-literature

Methyl 2-(benzene-sulfonamido)acetate.

Project description:The title compound, C(9)H(11)NO(4)S, is of inter-est as a precursor to biologically active benzothia-zines. The crystal structure is stabilized by inter-molecular N-H⋯O and C-H⋯O inter-actions.

| S-EPMC2969744 | biostudies-literature

4-(3-Methyl-benzene-sulfonamido)-phenyl 3-methyl-benzene-sulfonate.

Project description:The complete mol-ecule of the title compound, C(20)H(19)NO(5)S(2), is generated by a crystallographic twofold axis and the O atom and N-H group attached to the central benzene ring are statistically disordered. The dihedral angle between the central and terminal benzene rings is 56.91 (5)° and that between the terminal benzene rings is 29.80 (5)°. In the crystal, N-H⋯O hydrogen bonding links the mol-ecules into sheets lying parallel to the ab plane.

| S-EPMC3274951 | biostudies-literature

Methyl 2-(N-ethyl-methane-sulfonamido)benzoate.

Project description:In the mol-ecule of the title compound, C(11)H(15)NO(4)S, the S atom environment is distorted tetrahedral. The methoxy-carbonyl group is oriented at a dihedral angle of 11.8 (2)° with respect to the benzene ring. In the crystal structure, inter-molecular C-H⋯O hydrogen bonds link the mol-ecules into centrosymmetric dimers.

| S-EPMC2960301 | 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