Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

(Z)-N-[3-(2-Methoxy-phen-yl)-4-phenyl-2,3-dihydro-thia-zol-2-yl-idene]-2-methyl-benzamide.

ABSTRACT: In the title mol-ecule, C(24)H(20)N(2)O(2)S, the thia-zole and amide groups are essentially coplanar. The thia-zole ring forms dihedral angles of 61.62?(4) and 26.75?(5)° with the benzene rings of the methoxy-phenyl and methyl-phenyl groups, respectively, and 33.69?(6)° with the phenyl ring. The crystal packing is stabilized by inter-molecular C-H?O hydrogen bonds, forming a three-dimensional network.

SUBMITTER: Saeed A

PROVIDER: S-EPMC2915024 | biostudies-literature | 2007 Dec

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

(Z)-N-[3-(2-Methoxy-phen-yl)-4-phenyl-2,3-dihydro-thia-zol-2-yl-idene]-2-methyl-benzamide.

Saeed Aamer A Zaman Sabah S Flörke Ulrich U

Acta crystallographica. Section E, Structure reports online 20071206 Pt 1

In the title mol-ecule, C(24)H(20)N(2)O(2)S, the thia-zole and amide groups are essentially coplanar. The thia-zole ring forms dihedral angles of 61.62 (4) and 26.75 (5)° with the benzene rings of the methoxy-phenyl and methyl-phenyl groups, respectively, and 33.69 (6)° with the phenyl ring. The crystal packing is stabilized by inter-molecular C-H⋯O hydrogen bonds, forming a three-dimensional network. ...[more]

PMID: 21200943

Similar Datasets

(Z)-N-[3-(2-Methoxy-phen-yl)-4-phenyl-2,3-dihydro-thia-zol-2-yl-idene]-4-methyl-benzamide.

Project description:Geometric parameters of the title compound, C(24)H(20)N(2)O(2)S, are in the usual ranges. The central heterocycle makes dihedral angles of 41.29?(4) and 72.94?(5)° with the phenyl ring and the methoxy-phenyl ring, respectively.

| S-EPMC2915025 | biostudies-literature

(Z)-2-[Meth-oxy(phen-yl)methyl-idene]-3,4,5-trimethyl-2,3-dihydro-1,3-thia-zole.

Project description:In the title compound, C(14)H(17)NOS, the plane defined by the bridging methyl-ene C atom and its three substituents makes dihedral angles of 14.37?(8)° with the heterocycle and 26.17?(8)° with the phenyl ring, while the dihedral angle between the heterocycle and the phenyl ring is 36.29?(7)°. In the crystal, mol-ecules are linked by C-H?? contacts.

| S-EPMC3435672 | biostudies-literature

N-[(2Z,4Z)-4-Benzyl-idene-6-chloro-1,4-dihydro-pyrido[2,3-d][1,3]thia-zin-2-yl-idene]benzamide.

Project description:In the crystal structure of the title compound, C(21)H(14)ClN(3)OS, mol-ecules assemble into inversion dimers via pairs of N-H⋯N hydrogen bonds involving the N-H hydrogen of the thia-zine ring and the N atom of the pyridine ring. There is a close intra-molecular contact [2.570 (2) Å] between the carbonyl O atom of the benzamide and the S atom of the puckered thia-zine ring. The title compound can exist in two tautomeric forms, viz. amino or imino. The observed structure is compatible with the imino form on the basis of observed residual electron density and the two C-N bond lengths of 1.308 (2) and 1.353 (2) Å.

| S-EPMC3414281 | biostudies-literature

4-Fluoro-N-[3-(2-fluoro-phen-yl)-4-methyl-2,3-dihydro-2-thienyl-idene]benzamide.

Project description:In the title compound, C(17)H(12)F(2)N(2)OS, the planar thia-zole ring (r.m.s. deviation = 0.012?Å) makes dihedral angles of 15.08?(9) and 81.81?(6)° with the 4-fluoro-phenyl and 2-fluoro-phenyl rings, respectively. The 2-fluoro-phenyl ring is disordered over two orientations with site-occupancy factors of 0.810?(3) and 0.190?(3). The structure contains inter-molecular C-H?O hydrogen bonds.

| S-EPMC2969331 | biostudies-literature

Crystal structures of <i>N</i>-[(4-phenyl-thia-zol-2-yl)carbamo-thio-yl]benzamide and <i>N</i>-{[4-(4-bromo-phen-yl)thia-zol-2-yl]carbamo-thio-yl}benzamide from synchrotron X-ray diffraction.

Project description:The title compounds, C17H13N3OS2, (I), and C17H12BrN3OS2, (II), are potential active pharmaceutical ingredients. Compound (I) comprises two almost planar fragments. The first is the central (carbamo-thio-yl)amide (r.m.s. deviation = 0.038?Å), and the second consists of the thia-zole and two phenyl rings (r.m.s. deviation = 0.053?Å). The dihedral angle between these planes is 15.17?(5)°. Unlike (I), compound (II) comprises three almost planar fragments. The first is the central N-(thia-zol-2-ylcarbamo-thio-yl)amide (r.m.s. deviation = 0.084?Å), and the two others comprise the bromo-phenyl and phenyl substituents, respectively. The dihedral angles between the central and two terminal planar fragments are 21.58?(7) and 17.90?(9)°, respectively. Both (I) and (II) feature an intra-molecular N-H?O hydrogen bond, which closes an S(6) ring. In the crystal of (I), mol-ecules form hydrogen-bonded layers parallel to (100) mediated by N-H?S and C-H?O hydrogen bonds. In the crystal of (II), mol-ecules form a three-dimensional framework mediated by N-H?Br and C-H?O hydrogen bonds, as well as secondary S?Br [3.3507?(11)?Å] and S?S [3.4343?(14)?Å] inter-actions.

| S-EPMC5120721 | biostudies-literature

Poly[aqua-[μ-4-(4-chloro-phen-yl)-2-thioxo-2,3-dihydro-thia-zol-3-olato]-sodium(I)].

Project description:The packing of the title compound, [Na(C(9)H(5)ClNOS(2))(H(2)O)](n), in the crystal structure occurs by pairwise attachment of +sc- and -sc-arranged 4-(4-chloro-phen-yl)-2-thioxo-2,3-dihydro-thia-zol-3-olate subunits via S to sodium. Water mol-ecules that are bound in the axial position of the distorted octa-hedral coordination octahedron give rise to a stereogenic center at sodium.

| S-EPMC2960372 | biostudies-literature

(Z)-2-(5-Acetyl-4-methyl-3-phenyl-2,3-dihydro-1,3-thia-zol-2-yl-idene)-3-(3-methyl-1-benzofuran-2-yl)-3-oxo-propane-nitrile.

Project description:In the title compound, C(24)H(18)N(2)O(3)S, the benzofuran ring system (r.m.s. deviation = 0.010 Å) forms dihedral angles of 83.13 (17) and 8.92 (14)° with the benzene and thia-zole rings, respectively. The dihedral angle between the benzene and thia-zole rings is 84.51 (19)°. The mol-ecular structure features an intra-molecular C-H⋯O hydrogen bond, which closes an S(6) ring. There are no inter-molecular hydrogen bonds observed in this structure.

| S-EPMC3435740 | biostudies-literature

Crystal structure of 4-((1E)-1-{(2Z)-2-[4-(4-bromo-phen-yl)-3-phenyl-2,3-di-hydro-1,3-thia-zol-2-yl-idene]hydrazin-1-yl-idene}eth-yl)phenol hemihydrate.

Project description:In the title compound, C23H18BrN3OS·0.5H2O, the bromo-phenyl, phenyl and phenol rings make dihedral angles of 46.5?(1), 66.78?(8) and 15.4?(2)°, respectively, with the mean squares plane of the thia-zol-idene ring. In the crystal, the lattice water mol-ecule is hydrogen bonded to the phenol group and makes a weaker O-H?N connection to an inversion-related mol-ecule, forming a ring while weak pairwise C-H?S inter-actions involving inversion-related mol-ecules form a second ring. Both these motifs result in the formation of two-dimensional networks lying parallel to (10-1).

| S-EPMC4257180 | biostudies-literature

2-((1E)-1-{2-[(2Z)-4-(4-Bromo-phen-yl)-3-phenyl-2,3-di-hydro-1,3-thia-zol-2-yl-idene]hydrazin-1-yl-idene}eth-yl)pyridin-1-ium bromide monohydrate.

Project description:In the title hydrated molecular salt, C22H18BrN4S(+)·Br(-)·H2O, the aromatic rings make dihedral angles of 14.20 (12), 34.29 (10) and 68.75 (11)° with the thia-zole ring. In the crystal, mol-ecules are linked into chains running parallel to the a axis by association of the bromide ions and the water mol-ecules of crystallization with the cations via N-H⋯O, O-H⋯Br, C-H⋯N and C-H⋯Br hydrogen-bonding inter-actions. C-H⋯π and C-Br⋯π [3.7426 (11) Å, 161.73 (7)°] inter-actions are also observed, forming infinite chains extending along the b-axis direction.

| S-EPMC3998394 | biostudies-literature

N-(1,3-Thia-zol-2-yl)benzamide.

Project description:The title compound, C(10)H(8)N(2)OS, features a nonplanar mol-ecule [dihedral angle between the two aromatic rings = 43.6 (1)°]. Two mol-ecules are linked by N-H⋯N hydrogen bonds about a centre of inversion, giving rise to a hydrogen-bonded dimer.

| S-EPMC2969069 | 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