Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

Ethyl 2-benzene-sulfonamido-4-methyl-penta-noate.

ABSTRACT: In the title compound, C(14)H(21)NO(4)S, the O-S-O angle is 120.06?(11)°, with the S atom adopting a distorted tetra-hedral geometry. In the crystal, N-H?O hydrogen bonds connect the mol-ecules along the a axis, generating an infinite chain. The disordered C atoms of the isobutyl group were refined with the C-C distances restrained to 1.52?(1)?Å and the occupancy ratio refined to 0.504?(3):0.496?(3).

SUBMITTER: Arshad MN

PROVIDER: S-EPMC3470229 | biostudies-other | 2012 Oct

REPOSITORIES: biostudies-other

ACCESS DATA

Json Xml

Publications

Ethyl 2-benzene-sulfonamido-4-methyl-penta-noate.

Arshad Muhammad Nadeem MN Danish Muhammad M Tahir Muhammad Nawaz MN Khalid Savera S Asiri Abdullah M AM

Acta crystallographica. Section E, Structure reports online 20120908 Pt 10

In the title compound, C(14)H(21)NO(4)S, the O-S-O angle is 120.06 (11)°, with the S atom adopting a distorted tetra-hedral geometry. In the crystal, N-H⋯O hydrogen bonds connect the mol-ecules along the a axis, generating an infinite chain. The disordered C atoms of the isobutyl group were refined with the C-C distances restrained to 1.52 (1) Å and the occupancy ratio refined to 0.504 (3):0.496 (3). ...[more]

PMID: 23125673

Similar Datasets

threo-Diethyl 2-ethyl-2-hy-droxy-3-(4-methyl-benzene-sulfonamido)-succinate.

Project description:The asymmetric unit of the title compound, C(17)H(25)NO(7)S, contains two independent mol-ecules, which are enanti-omers forming a hydrogen-bonded dimer associated with two R(2) (2)(7) patterns. In each mol-ecule, one ethyl group from the two available ethyl ester functional groups is disordered. In one mol-ecule, the ethyl group of the ester function from an ?-carb-oxy-lic acid is positionally disordered over two sets of sites with occupancies of 0.66:0.34. In the second mol-ecule, it is the ethyl group in the ?-ester function that is disordered over two sets of sites with occupancies of 0.58:0.42.

| S-EPMC3257162 | biostudies-literature

Ethyl 3-(4-methyl-benzene-sulfonamido)thieno[2,3-b]pyridine-2-carboxyl-ate.

Project description:The thieno[2,3-b]pyridine ring system of the title compound, C(17)H(16)N(2)O(4)S(2), is essentially planar, the amino and carbonyl groups being nearly coplanar with the heterocyclic ring system. There are two N-H?O hydrogen-bonding inter-actions involving the same N-H donor set and two different acceptors, one in an intra-molecular bond helping to fix the mol-ecular geometry and the other defining a dimeric structure around the symmetry centre at (0, , ).

| S-EPMC2968187 | biostudies-literature

2-[(E)-2-(4-Methyl-benzene-sulfonamido)ethyl-iminiometh-yl]-4-nitro-phenolate.

Project description:The mol-ecule of the title compound, C(16)H(17)N(3)O(5)S, crystallizes in a zwitterionic form, with a strong intra-molecular N-H⋯O hydrogen bond. The dihedral angle between the two benzene rings is 7.06 (9)°. In the crystal, mol-ecules are linked into chains along the c axis by inter-molecular N-H⋯O hydrogen bonds.

| S-EPMC2969864 | 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

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 (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

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 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

2-Benzene-sulfonamido-3-methyl-butyric acid.

Project description:In the crystal structure of the title compound, C(11)H(15)NO(4)S, two independent mol-ecules are present per asymmetric unit; they are dimerized through O-H?O hydrogen bonds between their carb-oxy groups to generate R(2) (2)(8) loops. An intra-molecular N-H?O link in one of the mol-ecules closes an S(5) ring. The dimers are linked by N-H?O and C-H?O hydrogen bonds to form a three-dimensional network. The C atoms of the isopropyl group of one of the mol-ecules are disordered over two orientations in a 3:1 ratio.

| S-EPMC3435689 | 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