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(S)-N-[1-(5-Benzyl-sulfan-yl-1,3,4-oxa-diazol-2-yl)-2-phenyl-eth-yl]-4-methyl-benzene-sulfonamide.

ABSTRACT: The title compound, C(24)H(23)N(3)O(3)S(2), crystallizes with two independent mol-ecules in the asymmetric unit. They differ essentially in the orientation of the tolyl rings, between which there is ?-? stacking (centroid-centroid distance = 3.01?Å). The absolute configuration was confirmed by the determination of the Flack parameter [x = 0.008?(9)]. In the crystal, mol-ecules are connected by two classical N-H?N hydrogen bonds and two weak but very short C-H?O(sulfon-yl) inter-actions, forming layers lying parallel to the bc plane.

SUBMITTER: Syed T

PROVIDER: S-EPMC3247610 | biostudies-literature | 2011 Nov

REPOSITORIES: biostudies-literature

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(S)-N-[1-(5-Benzyl-sulfan-yl-1,3,4-oxa-diazol-2-yl)-2-phenyl-eth-yl]-4-methyl-benzene-sulfonamide.

Syed Tayyaba T Hameed Shahid S Jones Peter G PG

Acta crystallographica. Section E, Structure reports online 20111008 Pt 11

The title compound, C(24)H(23)N(3)O(3)S(2), crystallizes with two independent mol-ecules in the asymmetric unit. They differ essentially in the orientation of the tolyl rings, between which there is π-π stacking (centroid-centroid distance = 3.01 Å). The absolute configuration was confirmed by the determination of the Flack parameter [x = 0.008 (9)]. In the crystal, mol-ecules are connected by two classical N-H⋯N hydrogen bonds and two weak but very short C-H⋯O(sulfon-yl) inter-actions, forming ...[more]

PMID: 22219915

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