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

ABSTRACT: 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.

SUBMITTER: Sakka OK

PROVIDER: S-EPMC3588553 | biostudies-literature | 2013 Mar

REPOSITORIES: biostudies-literature

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

Sakka Ola K OK Fleita Daisy H DH Harrison William T A WT

Acta crystallographica. Section E, Structure reports online 20130206 Pt 3

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. ...[more]

PMID: 23476542

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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).

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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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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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Project description:In the title compound, C(14)H(11)F(2)N(3)S, the heterocyclic five-membered ring has an envelope conformation. Although the mol-ecule is chiral, the compound is a racemate (R/S). There is a weak inter-molecular C-H?? inter-action but no classical hydrogen bonds are observed in the crystal structure.

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2-{3-[1-(3,4-Dichloro-phen-yl)eth-yl]-1,3-thia-zolidin-2-yl-idene}malononitrile.

Project description:In the title compound, C(14)H(11)Cl(2)N(3)S, the thia-zole ring is in an envelope conformation with the -CH(2)- group bonded to the S atom forming the flap. The crystal structure is stabilized by weak inter-molecular C-H?Cl and C-H?N hydrogen bonds.

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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.

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{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)°.

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