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(Z)-3-Benzyl-2-[(2-phenyl-cyclo-hex-2-en-yl)imino]-1,3-thia-zolidin-4-one.

ABSTRACT: The title compound, C(22)H(22)N(2)OS, exists in a Z configuration 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 0.030?(2)?Å, and forms dihedral angles of 76.66?(6) and 74.55?(6)° with the terminal phenyl rings. The dihedral angle between the phenyl rings is 71.55?(7)°. In the crystal, a C-H?? inter-action is observed.

SUBMITTER: Ooi CW

PROVIDER: S-EPMC3415005 | biostudies-literature | 2012 Aug

REPOSITORIES: biostudies-literature

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(Z)-3-Benzyl-2-[(2-phenyl-cyclo-hex-2-en-yl)imino]-1,3-thia-zolidin-4-one.

Ooi Chin Wei CW Fun Hoong-Kun HK Quah Ching Kheng CK Sathishkumar Murugan M Ponnuswamy Alagusundaram A

Acta crystallographica. Section E, Structure reports online 20120728 Pt 8

The title compound, C(22)H(22)N(2)OS, exists in a Z configuration 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 0.030 (2) Å, and forms dihedral angles of 76.66 (6) and 74.55 (6)° with the terminal phenyl rings. The dihedral angle between the phenyl rings is 71.55 (7)°. In the crystal, a C-H⋯π inter-action is observed. ...[more]

PMID: 22904992

Similar Datasets

5-Benzyl-idene-3-phenyl-2-phenyl-imino-1,3-thia-zolidin-4-one.

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(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.

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Project description:In the title compound, C(11)H(12)N(2)O(2)S, the thia-zole and phenyl rings are inclined at 56.99 (6)° to one another. The thia-zole ring is planar with an r.m.s. deviation for the five ring atoms of 0.0274 Å. The presence of the phenyl-imine substituent is confirmed with the C=N distance to the thia-zole ring of 1.2638 (19) Å. The mol-ecule adopts a Z conformation with respect to this bond. The -OH group of the hy-droxy-ethyl substituent is disordered over two positions with relative occupancies 0.517 (4) and 0.483 (4). In the crystal, O-H⋯O hydrogen bonds, augmented by C-H⋯N contacts, form dimers with R(2) (2)(11) rings and generate chains along the b axis. Parallel chains are linked in an obverse fashion by weak C-H⋯S hydrogen bonds. C-H⋯O hydrogen bonds together with C-H⋯π contacts further consolidate the structure, stacking mol-ecules along the b axis.

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Project description:In the title compound, C(17)H(13)NOS(2), the heterocyclic ring is oriented at a dihedral angle of 74.43?(5)° with respect to the anilinic benzene ring and at a dihedral angle of 17.31?(9)° with respect to phenyl ring. An intra-molecular C-H?S inter-action occurs, resulting in an S(6) ring. In the crystal, the packing is consolidated by C-H?? inter-actions and possible very weak aromatic ?-? stacking [centroid-centroid separation = 4.025?(1)?Å].

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(5Z)-5-(2-Hydroxy-benzyl-idene)-3-phenyl-2-thioxo-1,3-thia-zolidin-4-one.

Project description:In the title compound, C(16)H(11)NO(2)S(2), the dihedral angles between the heterocyclic ring and the phenyl and anilinic benzene rings are 9.68 (13) and 79.26 (6)°, respectively, and an intra-molecular C-H⋯S inter-action occurs. In the crystal, inversion dimers linked by pairs of O-H⋯O hydrogen bonds occur, leading to R(2) (2)(10) loops, and C-H⋯O and weak C-H⋯π inter-actions further consolidate the packing.

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3-Cyclo-hexyl-2-thioxo-1,3-thia-zolidin-4-one.

Project description:In the title compound, C(9)H(13)NOS(2), the complete mol-ecule is generated by crystallographic mirror symmetry, with all the non-H atoms of the rhodanine (2-thioxo-1,3-thia-zolidin-4-one) system and two C atoms of the cyclo-hexyl ring lying on the reflecting plane. The conformation is stabilized by intra-molecular C-H⋯O and C-H⋯S inter-actions. In the crystal, weak π-π inter-actions at a distance of 3.8140 (5) Å between the centroids of the heterocyclic rings occur.

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3-Benzyl-5-benzyl-idene-2-sulfanylidene-1,3-thia-zolidin-4-one.

Project description:In the title mol-ecule, C(17)H(13)NOS(2), the essentially planar thia-zole ring (r.m.s deviation 0.005?Å) forms dihedral angles of 16.85?(8)° and 75.02?(8)° with the phenyl rings. The dihedral angle between the two phenyl rings is 61.95?(9)°.

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