Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

3-Hy-droxy-2-(4-meth-oxy-benzene-sulfonamido)-butanoic acid.

ABSTRACT: The title compound, C(11)H(15)NO(6)S, features a distorted tetra-hedral geometry for the S atom. One of the sulfonamide O atoms is approximately coplanar with the benzene ring [C-C-S-O torsion angle = -160.81 (7)°], whereas the other lies well below the plane [C-C-S-O = -29.66 (8)°]. In the crystal, O-H⋯O and C-H⋯O hydrogen bonds link the mol-ecules into chains parallel to the b axis.

SUBMITTER: Sinha S

PROVIDER: S-EPMC3238932 | biostudies-literature | 2011 Dec

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

3-Hy-droxy-2-(4-meth-oxy-benzene-sulfonamido)-butanoic acid.

Sinha Suman S Osman Hasnah H Wahab Habibah A HA Hemamalini Madhukar M Fun Hoong-Kun HK

Acta crystallographica. Section E, Structure reports online 20111112 Pt 12

The title compound, C(11)H(15)NO(6)S, features a distorted tetra-hedral geometry for the S atom. One of the sulfonamide O atoms is approximately coplanar with the benzene ring [C-C-S-O torsion angle = -160.81 (7)°], whereas the other lies well below the plane [C-C-S-O = -29.66 (8)°]. In the crystal, O-H⋯O and C-H⋯O hydrogen bonds link the mol-ecules into chains parallel to the b axis. ...[more]

PMID: 22199781

Similar Datasets

4-(4-Meth-oxy-benzene-sulfonamido)-benzoic acid.

Project description:The asymmetric unit of the title compound, C(14)H(13)NO(5)S, contains two independent mol-ecules in which the dihedral angles between the aromatic rings are 83.45 (11) and 86.65 (9)°. In the crystal, the independent mol-ecules are connected by N-H⋯O and O-H⋯O hydrogen bonds, forming a double-chain structure along [401]. A weak π-π stacking inter-action with a centroid-centroid distance of 3.7509 (13) Å and C-H⋯O hydrogen bonds are also observed.

| S-EPMC3151892 | biostudies-literature

4,4,4-Trifluoro-3-hy-droxy-3-(trifluoro-meth-yl)butanoic acid.

Project description:The asymmetric unit of the title compound, C(5)H(4)F(6)O(3), a polyfluorinated derivative of β-hy-droxy-butyric acid, comprises two mol-ecules. Intra-molecular O-H⋯O hydrogen bonds occur. In the crystal, inter-molecular O-H⋯O hydrogen bonds give rise to the formation of carb-oxy-lic acid dimers. Along with these hydrogen bonds, C-H⋯O contacts connect the mol-ecules into infinite strands along the a axis.

| S-EPMC3051966 | biostudies-literature

4-[(4-Meth-oxy-benzene-sulfonamido)-meth-yl]cyclo-hexane-1-carb-oxy-lic acid.

Project description:In the title compound, C(15)H(21)NO(5)S, two crystallographically independent mol-ecules are linked into a dimer by a pair of N-H⋯O hydrogen bonds, forming an R(2) (2)(8) ring motif. In the crystal, mol-ecules are further linked by inter-molecular O-H⋯O hydrogen bonds into a two-dimensional network parallel to (012). Additional stabilization is provided by weak inter-molecular C-H⋯O hydrogen bonds.

| S-EPMC3200917 | biostudies-literature

2-(2,5-Dichloro-benzene-sulfonamido)-3-methyl-butanoic acid.

Project description:The structure of the title compound, C(11)H(13)Cl(2)NO(4)S, shows one sulfonamide-O atom to lie almost in the plane of the benzene ring [C-C-S-O = -178.7 (2) °] and the other to one side [C-C-S-O = -49.4 (3)°]. Lying to the other side is the amine residue, which occupies a position almost perpendicular to the plane [C-S-N-C = 70.2 (2)°]; the carb-oxy-lic acid group is orientated to lie over the benzene ring. In the crystal, the appearance of an 11-membered {⋯OH⋯OCOH⋯OC(2)NH} synthon, which features the hy-droxy group forming both donor (to a carbonyl-O) and acceptor (from the amine-H) inter-actions, leads to the formation of a supra-molecular chain along the a axis. Chains are connected in the crystal structure by C-H⋯O contacts.

| S-EPMC3009271 | biostudies-literature

2-(4-Acetamido-benzene-sulfonamido)-3-methyl-butanoic acid.

Project description:In the title compound, C(13)H(18)N(2)O(5)S, the benzene ring and the acetamide group are almost coplanar [dihedral angle = 5.6 (3)°], and the amine group projects almost vertically from this plane [C-C-S-N = -84.5 (7)°]. A short intra-molecular C-H⋯O contact occurs. In the crystal, O-H⋯O, N-H⋯O and N-H⋯(O,O) hydrogen bonds lead to a three-dimensional network. One of the methyl groups of the isopropyl residue is disordered over two orientations in a 0.747 (16):0.253 (16) ratio.

| S-EPMC2979509 | biostudies-literature

(2S)-3-Carbamoyl-2-(4-meth-oxy-benzene-sulfonamido)-propanoic acid.

Project description:In the title compound, C(11)H(14)N(2)O(6)S, an amino acid-derived sulfonamide, the acetamido group and the carb-oxy-lic group are oriented at dihedral angles of 45.84 (5)° and 47.97 (5)° respectively, with respect to the aromatic ring. In the crystal, the mol-ecules are connected by N-H⋯O and O-H⋯O hydrogen bonds and weak C-H⋯O inter-actions, forming a three-dimensional network.

| S-EPMC2983211 | biostudies-literature

4-(5-Hy-droxy-meth-yl-2-meth-oxy-phen-oxy)benzoic acid.

Project description:The title compound, C(15)H(14)O(5), crystallizes with two independent mol-ecules in the asymmetric unit in which the benzene rings are inclined at dihedral angles of 79.4 (1) and 84.2 (1)°. In the crystal, inter-molecular O-H⋯O hydrogen bonds link the mol-ecules into double chains propagating in [001].

| S-EPMC3089302 | biostudies-literature

4-[(4-Methyl-benzene-sulfonamido)-meth-yl]cyclo-hexa-necarb-oxy-lic acid.

Project description:The title compound, C(15)H(21)NO(4)S, crystallized with two independent mol-ecules in the asymmetric unit in which the dihedral angles between the mean planes of the benzene and cyclo-hexane rings are 78.3 (2) and 67.6 (2)°. The substituents of the cyclo-hexyl rings are in equatorial orientations. In the crystal, both mol-ecules form R(2) (2)(6) carb-oxy-lic acid inversion dimers via pairs of O-H⋯O hydrogen bonds. Further N-H⋯O and C-H⋯O inter-actions generate a three-dimensional network.

| S-EPMC3151904 | biostudies-literature

N'-[(E)-2-Hy-droxy-5-meth-oxy-benzyl-idene]-2-meth-oxy-benzohydrazide.

Project description:The mol-ecule of the title compound, C16H16N2O4, adopts an E conformation about the azomethine C=N double bond. The dihedral angle formed by the benzene rings is 18.88?(9)°. The mol-ecular conformation is stabilized by an intra-molecular O-H?N hydrogen bond, which forms an S(6) ring. In the crystal, the mol-ecules are linked into chains parallel to [001] by N-H?O hydrogen bonds. The chains are further connected into a three-dimensional network by ?-? stacking inter-actions with centroid-centroid distances of 3.6538?(10) and 3.8995?(11)?Å.

| S-EPMC3588809 | biostudies-other

5-(Hy-droxy-meth-yl)furan-2-carb-oxy-lic acid.

Project description:In the title compound, C(6)H(6)O(4), the furan ring is nearly coplanar with the carboxyl group, the maximum atomic deviation being 0.0248 (9) Å. The crystal packing is stabilized by classical O-H⋯O and weak C-H⋯O hydrogen bonding.

| S-EPMC3120284 | 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