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3-(2H-1,3-Benzodioxol-5-ylmeth-yl)-2-(2-meth-oxy-phen-yl)-1,3-thia-zolidin-4-one.

ABSTRACT: The title mol-ecule, C(18)H(17)NO(4)S, features a 1,3-thia-zolidine ring that is twisted about the S-C(methyl-ene) bond. With reference to this ring, the 1,3-benzodioxole and benzene rings lie to either side and form dihedral angles of 69.72?(16) and 83.60?(14)°, respectively, with the central ring. Significant twisting in the mol-ecule is confirmed by the dihedral angle of 79.91?(13)° formed between the outer rings. Linear supra-molecular chains along the a-axis direction mediated by C-H?O inter-actions feature in the crystal packing.

SUBMITTER: Facchinetti V

PROVIDER: S-EPMC3247375 | biostudies-literature | 2011 Nov

REPOSITORIES: biostudies-literature

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3-(2H-1,3-Benzodioxol-5-ylmeth-yl)-2-(2-meth-oxy-phen-yl)-1,3-thia-zolidin-4-one.

Facchinetti Victor V Gomes Claudia R B CR Cunico Wilson W Wardell Solange M S V SM Wardell James L JL Tiekink Edward R T ER

Acta crystallographica. Section E, Structure reports online 20111022 Pt 11

The title mol-ecule, C(18)H(17)NO(4)S, features a 1,3-thia-zolidine ring that is twisted about the S-C(methyl-ene) bond. With reference to this ring, the 1,3-benzodioxole and benzene rings lie to either side and form dihedral angles of 69.72 (16) and 83.60 (14)°, respectively, with the central ring. Significant twisting in the mol-ecule is confirmed by the dihedral angle of 79.91 (13)° formed between the outer rings. Linear supra-molecular chains along the a-axis direction mediated by C-H⋯O inte ...[more]

PMID: 22219993

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Crystal structure of (±)-3-[(benzo[d][1,3]dioxol-5-yl)meth-yl]-2-(3,4,5-tri-meth-oxy-phen-yl)-1,3-thia-zolidin-4-one.

Project description:In the title thia-zolidine-4-one derivative, C20H21NO6S, the central thia-zolidine ring is essentially planar (r.m.s. deviation for all non-H atoms = 0.0287?Å) and forms a dihedral angle of 88.25?(5)° with the meth-oxy-substituted benzene ring and 74.21?(4)° with the 1,3-benzodioxole ring. The heterocyclic ring (with two O atoms) fused to benzene ring adopts an envelope conformation with the non-ring-junction C atom as the flap. In the crystal, the mol-ecules are linked into chains along [001] through weak C-H?O inter-actions, forming R (4) 4(28) edge-fused rings.

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2-(2H-1,3-Benzodioxol-5-yl)-1,3-benzo-thia-zole.

Project description:In the title compound, C(14)H(9)O(2)S, the benzothia-zole unit is oriented at a dihedral angle of 7.1 (1)° with respect to the benzodioxole unit. The dioxole ring adopts flattened envelope conformation with the methyl-ene C atom at the flap. The crystal packing is stabilized by π-π inter-actions [centroid-centroid distances = 3.705 (1) and 3.752 (1) Å], C-H⋯π inter-actions and a short S⋯S contact of 3.485 (1) Å.

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2-Isopropyl-2-(6-meth-oxy-1,3-benzo-thia-zol-2-yl)-5,5-dimethyl-1,3-thia-zolidin-4-one.

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Project description:In the title compound, C21H14BrNO2S, the dihedral angle between the planes of the benzo-thia-zole and phenyl-methanone groups is 63.4?(2)°. In the crystal, pairs of C-H?N hydrogen bonds link the mol-ecules to form inversion dimers, which are further linked by C-H?O inter-actions into chains along the c axis. C-H?? and ?-? inter-actions [centroid-centroid distance = 3.863?(1)?Å] further stabilize the mol-ecular assembly.

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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.

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(Z)-N-{3-[(2-Chloro-1,3-thia-zol-5-yl)meth-yl]-1,3-thia-zolidin-2-yl-idene}cyanamide.

Project description:In the title compound, C(8)H(7)ClN(4)S(2), the thia-zole ring is essentially planar [r.m.s. deviation = 0.0011 (2) Å] and conformation of the thia-zolidine ring is twisted on the C-C bond. The C=N bond has a Z configuration.

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{2-[(1,3-Benzo-thia-zol-2-yl)meth-oxy]-5-fluoro-phen-yl}(4-chloro-phen-yl)methanone.

Project description:The asymmetric unit of the title compound, C21H13ClFNO2S, contains two independent mol-ecules with similar conformations. In the mol-ecules, the thia-zole ring is essentially planar [maximum atomic deviations = 0.014?(4) and 0.023?(5)?Å] and is oriented with respect to the fluoro-phenyl ring and chloro-phenyl rings at 9.96?(18) and 70.39?(18)° in one mol-ecule and at 7.50?(18) and 68.43?(18)° in the other; the dihedral angles between the fluoro-phenyl and chloro-phenyl rings are 64.9?(2) and 64.6?(2)°, respectively. Inter-molecular C-H?O and C-H?F hydrogen bonds stabilize the three-dimensional supra-molecular architecture. Weak C-H?? and ?-? inter-actions [centroid-centroid distance = 3.877?(3)?Å] lead to a criss-cross mol-ecular packing along the c axis.

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[4-(4-Meth-oxy-phen-yl)-2-(pyridin-3-yl)-1,3-thia-zol-5-yl][4-(tri-fluoro-meth-yl)phen-yl]methanone.

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