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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.

ABSTRACT: 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.

SUBMITTER: Moreno-Fuquen R

PROVIDER: S-EPMC4257375 | biostudies-literature | 2014 Dec

REPOSITORIES: biostudies-literature

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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.

Moreno-Fuquen Rodolfo R Castillo Juan C JC Abonia Rodrigo R Ellena Javier J De Simone Carlos A CA

Acta crystallographica. Section E, Structure reports online 20141105 Pt 12

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] t ...[more]

PMID: 25553018

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