Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

(E)-2-(3-Cinnamoyl-thio-ureido)acetic acid dimethyl sulfoxide disolvate.

ABSTRACT: In the title compound, C(12)H(12)N(2)O(3)S·2C(2)H(6)OS, the acetic acid and cinnamoyl groups adopt Z and E configurations, respectively, with respect to the thio group about the C-N bonds. The components of the asymmetric unit are connected by N-H?O and O-H?O hydrogen bonds and in the crystal weak inter-molecular C-H?O and C-H?S hydrogen bonds further connect the components into chains along the b axis. In the main mol-ecule, an intra-molecular N-H?O hydrogen bond is also present.

SUBMITTER: Hassan IN

PROVIDER: S-EPMC3201284 | biostudies-literature | 2011 Oct

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

(E)-2-(3-Cinnamoyl-thio-ureido)acetic acid dimethyl sulfoxide disolvate.

Hassan Ibrahim N IN Wan Daud Wan Ramli WR Yamin Bohari M BM Kassim Mohammad B MB

Acta crystallographica. Section E, Structure reports online 20110917 Pt 10

In the title compound, C(12)H(12)N(2)O(3)S·2C(2)H(6)OS, the acetic acid and cinnamoyl groups adopt Z and E configurations, respectively, with respect to the thio group about the C-N bonds. The components of the asymmetric unit are connected by N-H⋯O and O-H⋯O hydrogen bonds and in the crystal weak inter-molecular C-H⋯O and C-H⋯S hydrogen bonds further connect the components into chains along the b axis. In the main mol-ecule, an intra-molecular N-H⋯O hydrogen bond is also present. ...[more]

PMID: 22058788

Similar Datasets

(E)-Ethyl 2-(3-cinnamoyl-thio-ureido)acetate.

Project description:In the title compound, C(14)H(16)N(2)O(3)S, the phenyl ring and the ethyl 2-(3-formyl-thio-ureido)acetate fragment adopt an E configuration with respect to the C=C bond. An intra-molecular N-H?O hydrogen bond generating an S(6) ring motif is observed. In the crystal, mol-ecules are linked by N-H?S, C-H?S and C-H?O hydrogen bonds, forming sheets lying parallel to the ab plane.

| S-EPMC3009106 | biostudies-literature

(E)-Methyl 2-(3-cinnamoyl-thio-ureido)acetate.

Project description:In the title compound, C(13)H(14)N(2)O(3)S, the methyl 2-(3-formyl-thio-ureido)acetate fragment and the phenyl ring adopt an E configuration. The mol-ecule exhibits an intra-molecular N-H⋯O hydrogen bond, which completes a six-membered ring. The crystal packing is stabilized by inter-molecular N-H⋯S contacts, generating a two-dimensional hydrogen-bonding network.

| S-EPMC3007976 | biostudies-literature

Erythromycin A dimethyl sulfoxide disolvate 1.43-hydrate.

Project description:The title compound, C(37)H(67)NO(13)·2C(2)H(6)OS·1.43H(2)O, is a macrolide anti-biotic with better solubility and better dermal penetration abilities than erythromycin A itself. The asymmetric unit of this form contains one erythromycin A mol-ecule, two dimethyl sulfoxide (DMSO) solvent mol-ecules, a fully occupied water mol-ecule and a partially occupied water mol-ecule with an occupancy factor of 0.432?(11). The 14-membered ring of the erythronolide fragment has a conformation which differs considerably from that in erythromycin A dihydrate [Stephenson, Stowell, Toma, Pfeiffer & Byrn (1997 ?). J. Pharm. Sci.86, 1239-1244]. One of the two DMSO mol-ecules is disordered over two orientations; the orientation depends on the presence or absence of the second, partially occupied, water mol-ecule. In the crystal, erythromycin mol-ecules are connected by O-H?O hydrogen bonds involving the hy-droxy groups and the fully occupied water mol-ecule to form layers parallel to (010). These layers are connected along the b-axis direction only by a possible hydrogen-bonding contact involving the partially occupied water mol-ecule.

| S-EPMC3295479 | biostudies-literature

Bis[1,5-bis-(1H-indol-3-ylmethyl-ene)thio-carbazonato-?N,S]nickel(II) dimethyl sulfoxide disolvate.

Project description:The Ni atom in the crystal structure of the centrosymmetric title compound, [Ni(C(19)H(15)N(6)S)(2)]·2C(2)H(6)OS, is N,S-chelated by the deprotonated Schiff bases in a square-planar geometry. The -CH=N-N=C(S)-NH-N=CH- frament is planar. The two indolyl -NH (donor) sites inter-act with dimethyl sulfoxide mol-ecules to furnish a layer motif.

| S-EPMC2961539 | biostudies-literature

trans-Dichloridobis[(pyridin-4-yl)boronic acid-?N]palladium(II) dimethyl sulfoxide disolvate.

Project description:In the title compound, [PdCl(2)(C(5)H(6)BNO(2))(2)]·2C(2)H(6)OS, the Pd(II) ion is located on an inversion centre and is four-coordinated in a trans square-planar geometry by two chloride ions and two (pyridin-4-yl)boronic acid ligands. The Pd-N and Pd-Cl distances are 2.023?(2) and 2.2977?(7)?Å, respectively, and the average N-Pd-Cl angle is 90°. The dimethyl sulfoxide solvent mol-ecules play a key role in the crystal structure by bridging the complex mol-ecules via O-H?O hydrogen bonds, forming tapes running along the b axis. C-H?O inter-actions also contribute to the cohesion of the crystal.

| S-EPMC3089363 | biostudies-literature

Bis(phenanthridinium) hexa-chloridoplatinate(IV) dimethyl sulfoxide disolvate.

Project description:The asymmetric unit of the title compound, (C(13)H(10)N)(2)[PtCl(6)]·2C(2)H(6)OS, contains one independent protonated phenanthridinium cation, half of a centrosymmetric [PtCl(6)](2-)anion and one dimethyl sulfoxide solvent mol-ecule. Intra-molecular N-H?O and inter-molecular C-H?Cl hydrogen-bonding inter-actions seem to be effective in the stabilization of the structure.

| S-EPMC2968284 | biostudies-literature

4,4'-Bipyridine acetic acid disolvate.

Project description:The crystal structure of the title compound, C(10)H(8)N(2)·2C(2)H(4)O(2), is built up from 4,4'-bipyridine and acetic acid mol-ecules linked by strong O-H?N hydrogen bonds. The 4,4'-bipyridine and the two acetic acid mol-ecules are further connected through weak C-H?O hydrogen bonds to form a supra-molecular two-dimensional network parallel to the (001) plane. The two pyridine rings make a dihedral angle of 31.8?(1)°.

| S-EPMC2915004 | biostudies-literature

(Dimethyl sulfoxide-κO)bis-(thio-semicarbazide-κN,S)zinc dipicrate dimethyl sulfoxide solvate monohydrate.

Project description:The title complex, [Zn(CH(5)N(3)S)(2)(C(2)H(6)OS)](C(6)H(2)N(3)O(7))(2)·C(2)H(6)OS·H(2)O, is composed of a [Zn(thio-semi-carbazide)(2)(DMSO)](2+) cation (where DMSO is dimethyl sulfoxide), and two picrate anions. In the asymmetric unit, there is also a solvent mol-ecule of DMSO and a water mol-ecule of crystallization. In the cation, the Zn(II) atom is five-coordinated in a distorted square-pyramidal geometry. It coordinates to the O atom of a DMSO mol-ecule and to the S and one N atom of two thio-semicarbazide mol-ecules, which behave as bidentate ligands coordinating in a trans arrangement. In the crystal, a number of N-H⋯O, O-H⋯O and N-H⋯S hydrogen bonds link the mol-ecules into two-dimensional networks. These networks are further linked via weak C-H⋯O inter-actions, forming a three-dimensional arrangement. Positional disorder in one methyl group of the coordinated DMSO molecule and in the two picrate anions was observed.

| S-EPMC3051735 | biostudies-literature

2-[2-(3-Methyl-but-oxy)-5-nitro-benz-amido]-acetic acid dimethyl sulfoxide monosolvate.

Project description:In the title compound, C(14)H(18)N(2)O(6)·C(2)H(6)OS, the -C(O)NHCH(2)CO(2)H and -O(CH(2))(2)CH(CH(3))(2) substitutents of the aromatic ring are positioned such that the -NH- group is hydrogen-bond donor to the ether O atom of the other substituent. The dimethyl sulfoxide solvent mol-ecule is linked to the carb-oxy-lic acid group by an O-H⋯O hydrogen bond.

| S-EPMC3393976 | biostudies-literature

1,2-Bis[N'-(2,2-dimethyl-propionyl)thio-ureido]cyclo-hexa-ne.

Project description:In the title compound, C(18)H(32)N(4)O(2)S(2), the dihedral angle between the two thio-urea groups is 78.55 (7)°. The mol-ecular conformation is stabilized by intra-molecular N-H⋯O hydrogen bonds and the crystal structure is stabilized by inter-molecular N-H⋯O and C-H⋯O hydrogen bonds, forming centrosymmetric dimers.

| S-EPMC2961203 | 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