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1,3-Dimeth-oxy-2,3-dihydro-1H-isoindole-2-carbothio-amide.

ABSTRACT: In the mol-ecule of the title compound, C(11)H(14)N(2)O(2)S, the five-membered ring adopts an envelope conformation and an intramolecular N-H⋯O hydrogen bond occurs. Intra-molecular N-H⋯O, C-H⋯S and C-H⋯N hydrogen bonds result in the formation of two five- and one six-membered rings, having twisted conformations. In the crystal structure, inter-molecular N-H⋯O, N-H⋯S and C-H⋯S hydrogen bonds link the mol-ecules, forming polymeric sheets. The π-π contacts between the isoindole ring systems, [centroid-centroid distances = 3.5883 (8) and 4.0619 (8) Å] may further stabilize the structure. A C-H⋯π inter-actions also occur.

SUBMITTER: Maliha B

PROVIDER: S-EPMC2967958 | biostudies-literature | 2008 Dec

REPOSITORIES: biostudies-literature

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1,3-Dimeth-oxy-2,3-dihydro-1H-isoindole-2-carbothio-amide.

Maliha Bushra B Tariq Muhammad Ilyas MI Tahir M Nawaz MN Tahir M Nawaz MN Hussain Ishtiaq I Ali Muhammad M

Acta crystallographica. Section E, Structure reports online 20081206 Pt 1

In the mol-ecule of the title compound, C(11)H(14)N(2)O(2)S, the five-membered ring adopts an envelope conformation and an intramolecular N-H⋯O hydrogen bond occurs. Intra-molecular N-H⋯O, C-H⋯S and C-H⋯N hydrogen bonds result in the formation of two five- and one six-membered rings, having twisted conformations. In the crystal structure, inter-molecular N-H⋯O, N-H⋯S and C-H⋯S hydrogen bonds link the mol-ecules, forming polymeric sheets. The π-π contacts between the isoindole ring systems, [cent ...[more]

PMID: 21581684

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