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1-(5-Bromo-2-oxoindolin-3-yl-idene)thio-semicarbazide acetonitrile monosolvate.

ABSTRACT: In the crystal structure of the title compound, C(9)H(7)BrN(4)OS·C(2)H(3)N, the mol-ecules are connected via N-H?O and N-H?S inter-actions into zigzag chains perpendicular to [001]. The mol-ecules in these chains are additionally linked to acetonitrile solvent mol-ecules through N-H?N hydrogen bonding. The mol-ecules are arranged in layers and are stacked in the direction of the c axis indicative of ?-? inter-actions, with distance = 3.381?(7)?Å for the C?C interaction parallel to [001]. An intra-molecular N-H?O hydrogen bond is also observed in the main mol-ecule.

SUBMITTER: Pederzolli FR

PROVIDER: S-EPMC3152066 | biostudies-literature | 2011 Jul

REPOSITORIES: biostudies-literature

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1-(5-Bromo-2-oxoindolin-3-yl-idene)thio-semicarbazide acetonitrile monosolvate.

Pederzolli Fernanda Rosi Soares FR Bresolin Leandro L Carratu Vanessa Santana VS Locatelli Aline A de Oliveira Adriano Bof AB

Acta crystallographica. Section E, Structure reports online 20110625 Pt 7

In the crystal structure of the title compound, C(9)H(7)BrN(4)OS·C(2)H(3)N, the mol-ecules are connected via N-H⋯O and N-H⋯S inter-actions into zigzag chains perpendicular to [001]. The mol-ecules in these chains are additionally linked to acetonitrile solvent mol-ecules through N-H⋯N hydrogen bonding. The mol-ecules are arranged in layers and are stacked in the direction of the c axis indicative of π-π inter-actions, with distance = 3.381 (7) Å for the C⋯C interaction parallel to [001]. An intr ...[more]

PMID: 21837177

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