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Crystal structure of (Z)-3-allyl-5-(3-bromo-benzyl-idene)-2-sulfanyl-idene-1,3-thia-zolidin-4-one.

ABSTRACT: In the title compound, C13H10BrNOS2, the rhodanine (systematic name: 2-sulfanyl-idene-1,3-thia-zolidin-4-one) and the 3-bromo-benzyl-idene ring systems are inclined slightly, forming a dihedral angle of 5.86?(12)°. The rhodanine moiety is linked to an allyl group at the N atom and to the 3-bromo-benzyl-idene ring system. The allyl group, C=C-C, is nearly perpendicular to the mean plane through the rhodanine ring, maling a dihedral angle of 87.2?(5)°. In the crystal, mol-ecules are linked by pairs of C-H?O hydrogen bonds, forming inversion dimers with an R 2 (2)(10) ring motif.

SUBMITTER: El Ajlaoui R

PROVIDER: S-EPMC4719950 | biostudies-literature | 2015 Dec

REPOSITORIES: biostudies-literature

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Crystal structure of (Z)-3-allyl-5-(3-bromo-benzyl-idene)-2-sulfanyl-idene-1,3-thia-zolidin-4-one.

El Ajlaoui Rahhal R Rakib El Mostapha el M Forsal Issam I Saadi Mohamed M El Ammari Lahcen L

Acta crystallographica. Section E, Crystallographic communications 20151206 Pt 12

In the title compound, C13H10BrNOS2, the rhodanine (systematic name: 2-sulfanyl-idene-1,3-thia-zolidin-4-one) and the 3-bromo-benzyl-idene ring systems are inclined slightly, forming a dihedral angle of 5.86 (12)°. The rhodanine moiety is linked to an allyl group at the N atom and to the 3-bromo-benzyl-idene ring system. The allyl group, C=C-C, is nearly perpendicular to the mean plane through the rhodanine ring, maling a dihedral angle of 87.2 (5)°. In the crystal, mol-ecules are linked by pair ...[more]

PMID: 26870469

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Crystal structure of (Z)-3-allyl-5-(4-chloro-benzyl-idene)-2-sulfanyl-idene-1,3-thia-zolidin-4-one.

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3-Benzyl-2-sulfanyl-idene-1,3-thia-zolidin-4-one.

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Crystal structure of (Z)-3-allyl-5-(4-methyl-benzyl-idene)-2-sulfanyl-idene-1,3-thia-zolidin-4-one.

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

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Project description:In the title mol-ecule, C(10)H(9)NOS(2), the 2-sulfanyl-idene-thia-zolidin-4-one mean plane and phenyl ring form a dihedral angle of 81.7?(1)°. In the crystal, C-H?? inter-actions link mol-ecules into helical chains in [010].

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

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

Project description:In the title compound, C(16)H(15)NOS, the thia-zolidine ring, which is essentially planar [maximum deviation = 0.071?(2)?Å], makes dihedral angles of 88.01?(8) and 87.21?(8)° with the terminal phenyl rings. The dihedral angle between the phenyl rings is 49.45?(5)°. In the crystal, mol-ecules are linked by a weak inter-molecular C-H?O hydrogen bond, forming a supra-molecular chain along the b axis. Furthermore, the crystal packing is stabilized by a weak C-H?? inter-action.

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