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1-(5-Bromo-2-oxoindolin-3-yl-idene)thio-semicarbazone.

ABSTRACT: The title mol-ecule, C9H7BrN4OS, is essentially planar [r.m.s. deviation = 0.066?(2)?Å], the maximum deviation from the mean plane through the non-H atoms being 0.190?(3)?Å for the terminal amine N atom. In the crystal, mol-ecules are linked through N-H?O and N-H?S inter-actions, generating infinite chains along the b-axis direction. In turn, the chains are stacked along the a axis via ?-? inter-actions [centroid-centroid distance = 3.470?(2)?Å] and further connected by N-H?Br inter-actions into a three-dimensional network. An intra-molecular N-H?O hydrogen bond is also observed.

SUBMITTER: Bandeira KC

PROVIDER: S-EPMC3793752 | biostudies-literature | 2013

REPOSITORIES: biostudies-literature

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1-(5-Bromo-2-oxoindolin-3-yl-idene)thio-semicarbazone.

Bandeira Katlen C T KC Bresolin Leandro L Näther Christian C Jess Inke I Oliveira Adriano B AB

Acta crystallographica. Section E, Structure reports online 20130713 Pt 8

The title mol-ecule, C9H7BrN4OS, is essentially planar [r.m.s. deviation = 0.066 (2) Å], the maximum deviation from the mean plane through the non-H atoms being 0.190 (3) Å for the terminal amine N atom. In the crystal, mol-ecules are linked through N-H⋯O and N-H⋯S inter-actions, generating infinite chains along the b-axis direction. In turn, the chains are stacked along the a axis via π-π inter-actions [centroid-centroid distance = 3.470 (2) Å] and further connected by N-H⋯Br inter-actions into ...[more]

PMID: 24109339

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