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Methyl (2Z)-2-{(2Z)-3-[(cyclo-pentyl-idene)amino]-4-oxo-2-phenyl-imino-1,3-thia-zol-idin-5-yl-idene}acetate.

ABSTRACT: In the title compound, C17H17N3O3S, the thia-zole ring is nearly planar [maximum deviation = 0.015?(1)?Å for the ring N atom] and the cyclo-pentane ring has a twist conformation. The mol-ecular conformation is stabilized by a hypervalent inter-action between the S atom and the ester group carbonyl O atom, with an S?O distance of 2.7931?(10)?Å. In the crystal, C-H?O inter-actions generate chains of mol-ecules propagating along [110] and ?-? stacking inter-actions [centroid-centroid distance = 3.4677?(7)?Å] between the thia-zole rings organize these chains into (001) layers.

SUBMITTER: Mague JT

PROVIDER: S-EPMC3998438 | biostudies-literature | 2014 Mar

REPOSITORIES: biostudies-literature

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Methyl (2Z)-2-{(2Z)-3-[(cyclo-pentyl-idene)amino]-4-oxo-2-phenyl-imino-1,3-thia-zol-idin-5-yl-idene}acetate.

Mague Joel T JT Akkurt Mehmet M Mohamed Shaaban K SK Hassan Alaa A AA Albayati Mustafa R MR

Acta crystallographica. Section E, Structure reports online 20140226 Pt 3

In the title compound, C17H17N3O3S, the thia-zole ring is nearly planar [maximum deviation = 0.015 (1) Å for the ring N atom] and the cyclo-pentane ring has a twist conformation. The mol-ecular conformation is stabilized by a hypervalent inter-action between the S atom and the ester group carbonyl O atom, with an S⋯O distance of 2.7931 (10) Å. In the crystal, C-H⋯O inter-actions generate chains of mol-ecules propagating along [110] and π-π stacking inter-actions [centroid-centroid distance = 3.4 ...[more]

PMID: 24765050

Similar Datasets

Crystal structure of methyl (2Z)-2-[(2Z)-2-(2-cyclo-pentyl-idenehydrazin-1-yl-idene)-4-oxo-3-phenyl-1,3-thia-zolidin-5-yl-idene]ethano-ate.

Project description:In the title compound, C17H17N3O3S, the cyclo-pentane ring is disordered over two sets of sites with an occupancy ratio of 0.775 (8):0.225 (8) for the affected atoms. The thia-zolidinyl ring is planar (r.m.s. deviation = 0.024 Å) and forms a dihedral angle of 65.13 (8)° with the attached phenyl ring. The mol-ecular packing is stabilized by C-H⋯O and C-H⋯π inter-actions, forming a three-dimensional structure.

| S-EPMC4647441 | biostudies-literature

Ethyl 2-{(2Z)-2-[(1-naphthyl-sulfon-yl)imino]-2,3-dihydro-1,3-thia-zol-4-yl}acetate monohydrate.

Project description:The title compound, C(17)H(16)N(2)O(4)S(2)·H(2)O, is of inter-est with respect to its anti-diabetic and anti-obesity activity. In the crystal, the packing is stabilized by three cooperative inter-actions: offset ?-? inter-actions [centroid-centroid distance = 3.604?(2)?Å], as well as C-H?O and O-H?O hydrogen bonds. N-H?O inter-actions also occur.

| S-EPMC3009274 | biostudies-literature

(Z)-3-(4-Methyl-phen-yl)-2-[(2-phenyl-cyclo-hex-2-en-1-yl)imino]-1,3-thia-zol-idin-4-one.

Project description:The title compound, C(22)H(22)N(2)OS, exists in a cis conformation with respect to the N=C bond. The cyclo-hexene ring adopts a distorted sofa conformation. The thia-zolidine ring is essentially planar with a maximum deviation of 0.025?(2)?Å and forms dihedral angles of 63.50?(7) and 57.52?(6)° with the benzene rings. In the crystal, mol-ecules are linked by C-H?O and C-H?N hydrogen bonds, generating R(2) (2)(8) ring motifs, and forming infinite chains along the c axis. The crystal is further consolidated by C-H?? inter-actions.

| S-EPMC3379373 | biostudies-literature

(Z)-3-(4-Bromo-phen-yl)-2-[(2-phenyl-cyclo-hex-2-en-1-yl)imino]-1,3-thia-zol-idin-4-one.

Project description:The title compound, C(21)H(19)BrN(2)OS, exists in a cis conformation with respect to the N=C bond [1.2602 (14) Å]. The cyclo-hexene ring adopts a distorted half-chair conformation and the C-N bond lies in an equatorial orientation. The thia-zolidine ring forms dihedral angles of 53.76 (7) and 57.22 (7)° with the benzene and bromo-substituted benzene rings, respectively. The dihedral angle between the benzene and bromo-substituted benzene rings is 76.06 (7)°. In the crystal, inversion dimers linked by pairs of C-H⋯O hydrogen bonds generate R(2) (2)(14) loops. The crystal is further consolidated by weak C-H⋯π inter-actions.

| S-EPMC3393268 | biostudies-literature

(2Z)-Methyl 2-(2-amino-1,3-thia-zol-4-yl)-2-(methoxy-imino)ethano-ate.

Project description:In the title compound, C(7)H(9)N(3)O(3)S, the planes of the 2-amino-1,3-thia-zol-4-yl and the methyl ester groups are oriented at a dihedral angle of 67.06?(7)°. In the crystal, inversion dimers linked by pairs of N-H?N hydrogen bonds occur, forming R(2) (2)(8) ring motifs. The dimers are inter-linked by N-H?O hydrogen bonds, resulting in sheets propagating in the ac plane.

| S-EPMC2969346 | biostudies-literature

S-1,3-Benzothia-zol-2-yl (2Z)-2-(2-amino-1,3-thia-zol-4-yl)-2-(methoxy-imino)-ethane-thio-ate.

Project description:The title compound, C(13)H(10)N(4)O(2)S(3), is an acyl-ating agent which belongs to the thia-zole class of organic compounds. The dihedral angle between the benzene and thiazole rings, which are fused to each other, is 1.2 (2)° so the overall benzothiazole system is almost planar. Inter-molecular N-H⋯N inter-actions and weak C-H⋯O inter-actions between symmetry-related mol-ecules stabilize the crystal structure, forming three different ring motifs [R(2) (2)(8), R(2) (2)(10) and R(2) (2)(16)] in three dimensions.

| S-EPMC2977499 | biostudies-literature

Methyl (2Z)-((2Z)-2-{(2E)-[1-(4-methyl-phen-yl)ethyl-idene]hydrazinyl-idene}-4-oxo-3-phenyl-1,3-thia-zolidin-5-yl-idene)ethano-ate.

Project description:The asymmetric unit of the title compound, C21H19N3O3S, contains two independent mol-ecules. In one mol-ecule, the 1,3-thia-zolidine ring forms dihedral angles of 86.19?(8) and 8.37?(8)° with the phenyl and benzene rings, respectively. The corresponding dihedral angles in the other mol-ecule are 69.60?(7) and 14.08?(7)°. The dihedral angle between the phenyl and benzene rings is 84.70?(8)° in one mol-ecule and 69.62?(8)° in the other. In the crystal, mol-ecules pack in layers approximately parallel to (10-2). There are weak C-H?O hydrogen bonds within these layers. Further weak C-H?O hydrogen bonding occurs between the layers to form a three-dimensional network. A weak C-H?? inter-action is also observed.

| S-EPMC3884445 | biostudies-literature

Methyl 2-((2Z,5Z)-4-oxo-3-phenyl-2-{2-[(1E)-1,2,3,4-tetra-hydro-naphthalen-1-yl-idene]hydrazin-1-yl-idene}-1,3-thia-zolidin-5-yl-idene)acetate.

Project description:In the title compound, C22H19N3O3S, the six-membered ring of the 1,2,3,4-tetra-hydro-naphthalene ring system adopts an envelope conformation with the central CH2 C atom as the flap. The mol-ecular conformation is stabilized by an S⋯O contact, forming a pseudo-five-membered ring. In the crystal, mol-ecules are linked via C-H⋯O hydrogen bonds into chains propagating along [102].

| S-EPMC3998598 | biostudies-literature

Crystal structure and Hirshfeld surface analysis of (<i>Z</i>)-4-chloro-<i>N</i>'-(4-oxo-thia-zol-idin-2-yl-idene)benzene-sulfono-hydrazide monohydrate.

Project description:The asymmetric unit of the title thia-zole derivative containing a sulfonyl-hydrazinic moiety, C9H8ClN3O3S2·H2O, consists of two independent mol-ecules and two water mol-ecules. The central parts of the mol-ecules are twisted as both the mol-ecules are bent at both the S and N atoms. In the crystal, N-H⋯N, N-H⋯O, C-H⋯O and O-H⋯O hydrogen-bonding inter-actions connect the mol-ecules, forming layers parallel to the ab plane. Two-dimensional fingerprint plots associated with the Hirshfeld surface show that the largest contributions to the crystal packing come from O⋯H/H⋯O (32.9%) and H⋯H (22.6%) inter-actions.

| S-EPMC6218911 | biostudies-literature

Methyl 2-((2Z,5Z)-2-{(E)-2-[1-(4-hy-droxy-phen-yl)ethyl-idene]hydrazin-1-yl-idene}-4-oxo-3-phenyl-1,3-thia-zolidin-5-yl-idene)acetate.

Project description:In the title compound, C20H17N3O4S, all non-H atoms, except those of the phenyl ring, are approximately coplanar [maximum deviation = 0.2214?(1)?Å], and the dihedral angle between their best plane and the benzene ring is 53.13?(1)°. A short intra-molecular O?S contact of 2.838?(1)?Å is formed between the ester carbonyl O atom and the S atom of the thia-zolidine ring. In the crystal, mol-ecules associated via O-H?O, C-H?O and C-H?S hydrogen bonds form layers parallel to (010), with only C-H?O-type short contacts between the mol-ecules in adjacent layers.

| S-EPMC3790417 | biostudies-literature

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