Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

(2R)-2-Benzene-sulfonamido-2-phenyl-ethanoic acid: a new monoclinic polymorph.

ABSTRACT: In the title compound, C(14)H(13)NO(4)S, a sulfonamide derivative of phenyl glycine, the aromatic rings are inclined at a dihedral angle of 28.03?(12)°. In the crystal, O-H?O hydrogen bonds link the molecules into chains propagating in [100] and a weak C-H?O interaction cross-links the chains in the c-axis direction. In the previously published polymorph, the dihedral angle between the aromatic rings is 45.52?(18)° and the structure is stabilized by three different types of ring motif.

SUBMITTER: Khan IU

PROVIDER: S-EPMC2970412 | biostudies-literature | 2009 Sep

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

(2R)-2-Benzene-sulfonamido-2-phenyl-ethanoic acid: a new monoclinic polymorph.

Khan Islam Ullah IU Sharif Shahzad S Arshad Muhammad Nadeem MN Ejaz Idrees Muhammad M

Acta crystallographica. Section E, Structure reports online 20090912 Pt 10

In the title compound, C(14)H(13)NO(4)S, a sulfonamide derivative of phenyl glycine, the aromatic rings are inclined at a dihedral angle of 28.03 (12)°. In the crystal, O-H⋯O hydrogen bonds link the molecules into chains propagating in [100] and a weak C-H⋯O interaction cross-links the chains in the c-axis direction. In the previously published polymorph, the dihedral angle between the aromatic rings is 45.52 (18)° and the structure is stabilized by three different types of ring motif. ...[more]

PMID: 21577892

Similar Datasets

(2R)-2-Benzene-sulfonamido-2-phenyl-ethanoic acid.

Project description:In the title compound, C(14)H(13)NO(4)S, the dihedral angle between the aromatic ring planes is 45.52?(18)°. In the crystal structure, inter-molecular N-H?O and O-H?O hydrogen bonds lead to chains of mol-ecules propagating in [100] in which the the ring motifs R(2) (1)(8), R(2) (2)(8) and R(3) (3)(11) are apparent. These polymeric chains are linked through C-H?O inter-actions.

| S-EPMC2977641 | biostudies-literature

A triclinic polymorph of N-[4-(4-methyl-benzene-sulfonamido)-phenyl-sulfon-yl]acetamide.

Project description:In the asymmetric unit of the title compound, C(15)H(16)N(2)O(5)S(2), there are two symmetry-independent mol-ecules which adopt similar conformations, with dihedral angles between the aromatic rings of 59.30 (8) and 61.81 (8)°, and dihedral angles between acetamide group and the benzene ring of 77.08 (10) and 78.40 (10)°. Each type of mol-ecule forms similar one-dimensional polymeric structures extending along the b axis via N-H⋯O hydrogen bonds. These hydrogen bonds generate two types of centrosymmetric motifs, R(2) (2)(8) and R(2) (2)(20). Moreover C-H⋯O inter-actions assemble the mol-ecules into a three-dimensional framework. The crystal structure was determined from a non-merohedral twin [ratio of the twin components = 0.322 (4):0.678 (4)].

| S-EPMC3343954 | biostudies-literature

2-(4-Methyl-benzene-sulfonamido)-2-phenyl-acetic acid.

Project description:In the title compound, C(15)H(15)NO(4)S, the dihedral angle between the phenyl and benzene rings is 46.0 (3)° and a weak intra-molecular N-H⋯O inter-action is present. The crystal structure is stabilized by inter-molecular O-H⋯O, N-H⋯O and C-H⋯O hydrogen bonds.

| S-EPMC2971098 | biostudies-literature

(2R,3S)-Methyl 2-hy-droxy-3-(4-methyl-benzene-sulfonamido)-3-phenyl-propano-ate.

Project description:In the title mol-ecule, C(17)H(19)NO(5)S, the p-tolyl ring is oriented approximately parallel to the phenyl ring [dihedral angle = 17.2?(1)°], resulting in an intra-molecular ?-? inter-ation [centroid-centroid distance = 3.184?(10)?Å]. In the crystal, mol-ecules are linked through O-H?O and C-H?O hydrogen bonds, forming hydrogen-bonded sheets lying diagonally across the ac face.

| S-EPMC3011734 | biostudies-literature

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

Project description:In the title compound, C(14)H(12)BrNO(4)S·H(2)O, the phenyl and benzene rings are inclined at a dihedral angle of 39.5?(5)°. The crystal packing is stabilized by N-H?O, C-H?O and O-H?O hydrogen-bonding inter-actions.

| S-EPMC2977332 | biostudies-literature

A new monoclinic polymorph of 1,1'-bis-(di-phenyl-thio-phosphor-yl)ferrocene.

Project description:The title compound, [Fe(C17H14PS)2], is a second monoclinic polymorph (P21/c, with Z' = 1) of the previously reported monoclinic (C2/c, with Z' = 1/2) form [Fang et al. (1995 ▸). Polyhedron, 14, 2403-2409]. In the new form, the S atoms lie to the same side of the mol-ecule with the pseudo S-P⋯P-S torsion angle being -53.09 (3)°. By contrast to this almost syn disposition, in the C2/c polymorph, the Fe atom lies on a centre of inversion so that the S atoms are strictly anti, with a pseudo-S-P⋯P-S torsion angle of 180°. The significant difference in mol-ecular conformation between the two forms does not result in major perturbations in the P=S bond lengths nor in the distorted tetra-hedral geometries about the P atoms. The crystal packing of the new monoclinic polymorph features weak Cp-C-H⋯π(phen-yl) inter-actions consolidating linear supra-molecular chains along the a axis. These pack with no directional inter-actions between them.

| S-EPMC4571348 | 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

2-(Benzene-sulfonamido)acetic acid.

Project description:The title compound, C(8)H(9)NO(4)S, is of inter-est as a precursor to biologically active sulfur-containing heterocyclic cmpounds. The crystal structure displays the classical O-H?O inter-molecular hydrogen bonding typical for carboxylic acids forming dimers. Symmetry-related dimers are, in turn, linked through head-to-tail pairs of inter-molecular N-H?O inter-actions, giving rise to a zigzag chain along the c axis.

| S-EPMC2959830 | biostudies-literature

4-Benzene-sulfonamido-benzoic acid.

Project description:In the mol-ecule of the title sulfonamide compound, C(13)H(11)NO(4)S, the dihedral angle between the planes of the benzene ring and the carboxyl substituent group is 6.7?(4)°. The two aromatic rings are inclined at 45.36?(15)° to one another. In the crystal, adjacent mol-ecules are linked via classical inter-molecular N-H?O and O-H?O, and non-classical C-H?O hydrogen bonds, which stabilize the crystal structure.

| S-EPMC2972151 | biostudies-literature

A monoclinic polymorph of 1,3-bis-(2-pyridylamino-meth-yl)benzene.

Project description:The mol-ecules of the title compound, C(18)H(18)N(4), are linked by two different N-H?N(pyrid-yl) hydrogen bonds into a linear chain.

| S-EPMC2915309 | 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