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Crystal structure of diethyl 2-[(2-sulfan-yl-quinolin-3-yl)methyl-idene]malonate.

ABSTRACT: In the title compound, C17H17N O4S, the quinoline ring system is nearly planar, with a maximum deviation of 0.0496?(16)?Å. A weak intra-molecular C-H?O inter-action is observed. In the crystal, C-H?O, S-H?N and ?-? stacking inter-actions between the fused benzene ring of quinoline and the pyridine moieties [shortest centroid-centroid distance = 3.6754?(11)?Å] are observed. Inversion-related weak C-H?O inter-molecular inter-actions diagonally along [010], with R 2 (2)(10) ring motifs, and S-H?N inter-molecular inter-actions diagonally along [100], with R 2 (2)(8) ring motifs, are present, forming a three-dimensional network structure. No classical hydrogen bonds are observed.

SUBMITTER: Rihanabanu

PROVIDER: S-EPMC4571415 | biostudies-literature | 2015 Aug

REPOSITORIES: biostudies-literature

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Crystal structure of diethyl 2-[(2-sulfan-yl-quinolin-3-yl)methyl-idene]malonate.

Rihanabanu Anitha B R BR Meenakshi T G TG Kumar K Mahesh KM Devarajegowda H C HC

Acta crystallographica. Section E, Crystallographic communications 20150722 Pt 8

In the title compound, C17H17N O4S, the quinoline ring system is nearly planar, with a maximum deviation of 0.0496 (16) Å. A weak intra-molecular C-H⋯O inter-action is observed. In the crystal, C-H⋯O, S-H⋯N and π-π stacking inter-actions between the fused benzene ring of quinoline and the pyridine moieties [shortest centroid-centroid distance = 3.6754 (11) Å] are observed. Inversion-related weak C-H⋯O inter-molecular inter-actions diagonally along [010], with R 2 (2)(10) ring motifs, and S-H⋯N i ...[more]

PMID: 26396815

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