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2,5-Dimethyl-3-(3-methyl-thio-phen-2-yl)perhydro-pyrrolo[3,4-d]isoxazole-4,6-dione.

ABSTRACT: The crystal structure of the title compound, C(12)H(14)N(2)O(3)S, exhibits intra-molecular C-H?S and inter-molecular C-H?S, C-H?O hydrogen bonds, C-S?N [S?N = 2.980?(2)?Å, C-S?N = 145.78?(17)°] and C-H?? inter-actions; these inter-actions generate two C(5) chains and S(4), S(6) and R(4) (4)(28) ring motifs. The isoxazole ring has an envelope conformation; the N atom, which is the flap atom, is displaced by 0.261?(2)?Å from the plane defined by the remaining four atoms. The dihedral angle between the succinimide and thio-phene rings is 46.8?(2)°.

SUBMITTER: Odabasoglu M

PROVIDER: S-EPMC2961365 | biostudies-literature | 2008 May

REPOSITORIES: biostudies-literature

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2,5-Dimethyl-3-(3-methyl-thio-phen-2-yl)perhydro-pyrrolo[3,4-d]isoxazole-4,6-dione.

Odabaşoğlu Mustafa M Ozkan Hamdi H Yıldırır Yılmaz Y Büyükgüngör Orhan O

Acta crystallographica. Section E, Structure reports online 20080517 Pt 6

The crystal structure of the title compound, C(12)H(14)N(2)O(3)S, exhibits intra-molecular C-H⋯S and inter-molecular C-H⋯S, C-H⋯O hydrogen bonds, C-S⋯N [S⋯N = 2.980 (2) Å, C-S⋯N = 145.78 (17)°] and C-H⋯π inter-actions; these inter-actions generate two C(5) chains and S(4), S(6) and R(4) (4)(28) ring motifs. The isoxazole ring has an envelope conformation; the N atom, which is the flap atom, is displaced by 0.261 (2) Å from the plane defined by the remaining four atoms. The dihedral angle between ...[more]

PMID: 21202616

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