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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.

ABSTRACT: 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].

SUBMITTER: Mague JT

PROVIDER: S-EPMC3998598 | biostudies-literature | 2014 Apr

REPOSITORIES: biostudies-literature

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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.

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 20140315 Pt 4

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]. ...[more]

PMID: 24826142

Similar Datasets

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.

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2-((1E)-1-{2-[(2Z)-3,4-Diphenyl-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 compound, C22H19N4S(+)·Br(-)·H2O, the dihedral angles between the phenyl groups and the mean plane of the thia-zolyl-idene ring are 34.69 (13) and 64.27 (13)°, respectively, while that between the thia-zolyl-idene and pyridinium rings is 14.73 (13)°. In the crystal, zigzag chains of alternating bromide ions and water mol-ecules associate through O-H⋯Br inter-actions run in channels approximately parallel to the b axis. These chains help form parallel chains of cations through N-H⋯O, C-H⋯N and C-H⋯Br hydrogen bonds.

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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.

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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).

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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.

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(5Z)-5-(2-Hy-droxy-benzyl-idene)-3-(4-methyl-phen-yl)-2-sulfanyl-idene-1,3-thia-zolidin-4-one.

Project description:In the title compound, C(17)H(13)NO(2)S(2), the dihedral angles between the 2-sulfanyl-idene-1,3-thia-zolidin-4-one group and the pendant toluene and 2-hy-droxy-benzene rings are 74.62?(6) and 8.73?(12)°, respectively. An intra-molecular C-H?S inter-action occurs. In the crystal, inversion dimers linked by pairs of O-H?O hydrogen bonds generate R(2) (2)(16) loops. This link is reinforced by a pair of C-H?O hydrogen bonds. The dimers are connected by weak C-H?S inter-actions.

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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

Crystal structure of (2Z,5Z)-3-(4-meth-oxy-phen-yl)-2-[(4-meth-oxy-phenyl)-imino]-5-[(E)-3-(2-nitro-phen-yl)allyl-idene]-1,3-thia-zolidin-4-one.

Project description:In the title compound, C26H21N3O5S, the thia-zole ring is nearly planar with a maximum deviation of 0.017 (2) Å, and is twisted with respect to the three benzene rings, making dihedral angles of 25.52 (12), 85.77 (12) and 81.85 (13)°. In the crystal, weak C-H⋯O hydrogen bonds and C-H⋯π inter-actions link the mol-ecules into a three-dimensional supra-molecular architecture. Aromatic π-π stacking is also observed between the parallel nitro-benzene rings of neighbouring mol-ecules, the centroid-to-centroid distance being 3.5872 (15) Å.

| S-EPMC4770957 | biostudies-literature

Crystal structure of (2Z)-2-{(5Z)-5-[3-fluoro-2-(4-phenyl-piperidin-1-yl)benzyl-idene]-4-oxo-3-(p-tol-yl)-1,3-thia-zolidin-2-yl-idene}-N-(p-tol-yl)ethane-thio-amide dimethyl sulfoxide monosolvate.

Project description:The title compound, C37H34FN3OS2·C2H6OS, was obtained by the Knoevenagel condensation. The thia-zolidine ring is essentially planar (r.m.s. deviation = 0.025 Å) and forms dihedral angles of 4.2 (3), 68.60 (14) and 39.57 (15)° with the attached thio-amide group, p-tolyl group benzene ring and fluoro-substituted benzene ring, respectively. The exocyclic double bonds are in a Z configuration. In the crystal, the dimethyl sulfoxide solvent mol-ecule is connected to the main mol-ecule via an N-H⋯O hydrogen bond. Weak C-H⋯O hydrogen bonds link the components of the structure into a two-dimensional network parallel to (10-1). Weak intra-molecular C-H⋯S hydrogen bonds are also observed. The crystal is an inversion twin with a ratio of twin components 0.78 (2):0.22 (6).

| S-EPMC4647368 | biostudies-literature

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