Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

N-(3-Butyl-4-oxo-1,3-thia-zolidin-2-yl-idene)benzamide.

ABSTRACT: In the title compound, C(14)H(16)N(2)O(2)S, the thia-zolidine ring is planar [maximum atomic deviation = 0.0080?(14)?Å] and twisted slightly with respect to the phenyl ring, making a dihedral angle of 4.46?(14)°. The butyl group displays an extended conformation, with a torsion angle of 169.4?(4)°. In the crystal structure, weak inter-molecular C-H?O hydrogen bonds link the mol-ecules, forming supra-molecular chains.

SUBMITTER: Zhao HR

PROVIDER: S-EPMC3006835 | biostudies-other | 2010

REPOSITORIES: biostudies-other

ACCESS DATA

Json Xml

Publications

N-(3-Butyl-4-oxo-1,3-thia-zolidin-2-yl-idene)benzamide.

Zhao Hua-Rong HR Wang Hai-Yan HY Meng Xiang-Wu XW

Acta crystallographica. Section E, Structure reports online 20100626 Pt 7

In the title compound, C(14)H(16)N(2)O(2)S, the thia-zolidine ring is planar [maximum atomic deviation = 0.0080 (14) Å] and twisted slightly with respect to the phenyl ring, making a dihedral angle of 4.46 (14)°. The butyl group displays an extended conformation, with a torsion angle of 169.4 (4)°. In the crystal structure, weak inter-molecular C-H⋯O hydrogen bonds link the mol-ecules, forming supra-molecular chains. ...[more]

PMID: 21588012

Similar Datasets

N-(3-Octyl-4-oxo-1,3-thia-zolidin-2-yl-idene)benzamide.

Project description:In the title compound, C(18)H(24)N(2)O(2)S, the thia-zolidinone ring is almost coplanar [maximum atomic deviation = 0.017?(3)?Å], and is coplanar with the phenyl ring [dihedral angle = 0.62?(13)°]. The octyl group displays an extended conformation. In the crystal, weak inter-molecular C-H?O hydrogen bonds link the mol-ecules into supra-molecular chains along [210].

| S-EPMC3011722 | biostudies-literature

2-(4-Oxo-3-phenyl-1,3-thia-zolidin-2-yl-idene)malononitrile.

Project description:In the title compound, C12H7N3OS, the essentially planar thia-zole ring (r.m.s. deviation = 0.022?Å) forms dihedral angles of 84.88?(9) and 1.8?(3)° with the phenyl ring and the -C(CN)2 group (r.m.s. deviation = 0.003?Å), respectively. The mol-ecule has approximate local Cs symmetry. In the crystal, molecules are linked via C-H?N hydrogen bonds, forming chains propagating along [101]. The crystal studied was found to be an inversion twin with a refined 0.63?(1):0.37?(1) domain ratio.

| S-EPMC3588553 | biostudies-literature

2-(4-Oxo-3-phenyl-1,3-thia-zolidin-2-yl-idene)propanedi-nitrile.

Project description:In the title compound, C12H7N3OS, the five-membered 1,3-thia-zolidine ring is nearly planar [maximum deviation = 0.032 (2) Å] and makes a dihedral angle of 84.14 (9)° with the phenyl ring. In the crystal, mol-ecules are linked by C-H⋯N hydrogen bonds into infinite chains along [-101]. C-H⋯π inter-actions contribute to the arrangement of the mol-ecules into layers parallel to (101).

| S-EPMC3793800 | biostudies-literature

{3-[(2-Chloro-1,3-thia-zol-4-yl)meth-yl]-1,3-thia-zolidin-2-yl-idene-amino}-formonitrile.

Project description:In the title compound, C(8)H(7)ClN(4)S(2), the dihedral angle between the thia-zolidine ring (r.m.s. deviation = 0.028 Å) and the thia-zole ring (r.m.s. deviation = 0.004 Å) is 74.74 (6)°. The formonitrile group is almost coplanar with the attached ring [C-N-C-N torsion angle = 167 (2)°.

| S-EPMC2983363 | biostudies-literature

(Z)-2-(1,3-Thia-zolidin-2-yl-idene)cyan-amide.

Project description:In the title compound, C(4)H(5)N(3)S, the tdihydrothiazole ring is almost planar, the maximum and minimum deviations being 0.188?(2)?Å and 0.042?(3)?Å, respectively. The crystal structure involves intermolecular N-H?N hydrogen bonds.

| S-EPMC3007512 | biostudies-literature

Crystal structure of (Z)-2-hy-droxy-N'-(4-oxo-1,3-thia-zolidin-2-yl-idene)benzohydrazide.

Project description:In the title compound, C10H9N3O3S, the five-membered ring adopts a slightly twisted conformation about the Cm-S (m = methyl-ene) bond. The dihedral angle between this ring and the benzene ring is 7.99?(9)°. A bifurcated intra-molecular N-H?(O,S) hydrogen bond helps to establish the near planar conformation of the mol-ecule. In the crystal, mol-ecules are linked by N-H?O and O-H?O hydrogen bonds to generate (001) sheets.

| S-EPMC4257235 | biostudies-literature

Crystal structures of two (<i>Z</i>)-2-(4-oxo-1,3-thia-zolidin-2-yl-idene)acetamides.

Project description:The crystal structures of two (oxo-thia-zolidin-2-yl-idene)acetamides, namely (Z)-2-[2-(morpholin-4-yl)-2-oxo-ethyl-idene]thia-zolidin-4-one, C9H12N2O3S, (I), and (Z)-N-(4-meth-oxy-phen-yl)-2-(4-oxo-thia-zolidin-2-yl-idene)acetamide, C12H12N2O3S, (II), are described and compared with a related structure. The Z conformation was observed for both the compounds. In (I), the morpholin-4-yl ring has a chair conformation and its mean plane is inclined to the thia-zolidine ring mean plane by 37.12 (12)°. In (II), the benzene ring is inclined to the mean plane of the thia-zolidine ring by 20.34 (14)°. In the crystal of (I), mol-ecules are linked by N-H⋯O hydrogen bonds, forming C(6) chains along the b-axis direction. The edge-to-edge arrangement of the mol-ecules results in short C-H⋯O and C-H⋯S inter-actions, which consolidate the chain into a ribbon-like structure. In the crystal of (II), two N-H⋯O hydrogen bonds result in the formation of C(8) chains along the b-axis direction and C(6) chains along the c-axis direction. The combination of these inter-actions leads to the formation of layers parallel to the bc plane, enclosing R44(28) rings involving four mol-ecules.

| S-EPMC5730238 | biostudies-literature

(Z)-N-{3-[(2-Chloro-1,3-thia-zol-5-yl)meth-yl]-1,3-thia-zolidin-2-yl-idene}cyanamide.

Project description:In the title compound, C(8)H(7)ClN(4)S(2), the thia-zole ring is essentially planar [r.m.s. deviation = 0.0011 (2) Å] and conformation of the thia-zolidine ring is twisted on the C-C bond. The C=N bond has a Z configuration.

| S-EPMC3238956 | biostudies-literature

(Z)-N-(3-Nicotinoyl-1,3-thia-zolidin-2-yl-idene)cyanamide.

Project description:In the title compound, C(10)H(8)N(4)OS, the dihedral angle between the pyridine and thia-zolidine rings is 52.5?(5)°. Inter-molecular C-H?N inter-actions help to stabilize the crystal structure.

| S-EPMC2979225 | biostudies-literature

4-Methyl-N-[(2-oxo-1,3-thia-zolidin-3-yl)carbon-yl]benzene-sulfonamide.

Project description:The asymmetric unit of the title compound, C(11)H(12)N(2)O(4)S(2), contains two independent mol-ecules with similar dihedral angles of 76.7?(1) and 77.3?(1)° between the mean planes of the five- and six-membered rings. In both mol-ecules, the amino groups are involved in intra-molecular N-H?O hydrogen bonds. In the crystal structure, weak inter-molecular C-H?O hydrogen bonds link mol-ecules into ribbons extended along the a axis.

| S-EPMC2979287 | 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