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4,4-Dimethyl-2-[3-nitro-2-phenyl-1-(phenyl-sulfan-yl)prop-yl]-4,5-dihydro-1,3-oxazole.

ABSTRACT: In the title compound, C(20)H(22)N(2)O(3)S, the oxazoline ring is planar (r.m.s. deviation = 0.045?Å) and forms dihedral angles of 47.24?(8) and 10.11?(8)° with the S- and C-bound phenyl rings, respectively. The nitro group lies to the same side of the mol-ecule as the oxazoline ring but is orientated so as not to inter-act with the ring. Linear supra-molecular chains along [010] are formed via C-H?O and C-H?S contacts. Chains are consolidated into a three-dimensional architecture by C-H?? and van der Waals inter-actions.

SUBMITTER: Caracelli I

PROVIDER: S-EPMC3344158 | biostudies-other | 2012 Apr

REPOSITORIES: biostudies-other

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4,4-Dimethyl-2-[3-nitro-2-phenyl-1-(phenyl-sulfan-yl)prop-yl]-4,5-dihydro-1,3-oxazole.

Caracelli Ignez I Zukerman-Schpector Julio J Villar José A F P JA Oliveira Alfredo R M AR Tiekink Edward R T ER

Acta crystallographica. Section E, Structure reports online 20120331 Pt 4

In the title compound, C(20)H(22)N(2)O(3)S, the oxazoline ring is planar (r.m.s. deviation = 0.045 Å) and forms dihedral angles of 47.24 (8) and 10.11 (8)° with the S- and C-bound phenyl rings, respectively. The nitro group lies to the same side of the mol-ecule as the oxazoline ring but is orientated so as not to inter-act with the ring. Linear supra-molecular chains along [010] are formed via C-H⋯O and C-H⋯S contacts. Chains are consolidated into a three-dimensional architecture by C-H⋯π and v ...[more]

PMID: 22606161

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