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

Project description: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.

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Project description:In the title 1-alkyl-isatin 3-thio-semicarbazone, C(19)H(28)N(4)OS, the imine C=N bond has a Z configuration, whereas the N-N-C=S unit has an E conformation. In the crystal, mol-ecules are connected by N-H?O hydrogen bonds, forming zigzag chains running along the b axis.

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4-(3-Fluoro-phen-yl)-1-(2-oxoindolin-3-yl-idene)thio-semicarbazide.

Project description:In the title compound, C(15)H(11)FN(4)OS, there are three independent mol-ecules, each with a disordered 3-fluoro-phenyl group [occupancy ratios = 0.547?(17):0.453?(17), 0.645?(5):0.355?(5) and 0.626?(15):0.374?(15)] and displaying dihedral angles of 4.2?(3), 25.2?(6) and 32.4?(5)° between the 2-oxoindoline and fluoro-substituted phenyl rings. Strong intra-molecular N-H?N and N-H?O and weak intra-molecular C-H?S hydrogen bonds complete S(5) and S(6) ring motifs, while strong inter-molecular N-H?O hydrogen bonds inter-connect the three independent mol-ecules through R(3) (3)(12) ring motifs. The three-mol-ecule units are in turn linked into polymeric sheets via C-H?F and C-H?S hydrogen bonds and ?-? inter-actions [centroid-centroid distances in the range 3.520?(2)-3.820?(9)?Å].

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Project description:In the title compound, C(16)H(14)N(4)O(2)S, intra-molecular N-H?N hydrogen bonding forms an S(5) ring, whereas N-H?O and C-H?S inter-actions complete S(6) ring motifs. In the crystal, mol-ecules form inversion dimers due to N-H?O inter-actions. The dimers are inter-linked through N-H?S hydrogen bonds and ?-? inter-actions occur with a centroid-centroid distance of 3.8422?(11)?Å between the meth-oxy-containing benzene ring and the five-membered heterocyclic ring.

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1-(2-Oxoindolin-3-yl-idene)-4-[2-(tri-fluoro-meth-yl)phen-yl]thio-semicarbazide.

Project description:In the title compound, C(16)H(11)F(3)N(4)OS, the dihedral angle between the aromatic ring systems is 69.15 (10)°. Intra-molecular N-H⋯N and N-H⋯O hydrogen bonds generate S(5) and S(6) rings, respectively. A short N-H⋯F contact also occurs. In the crystal, inversion dimers linked by pairs of N-H⋯O hydrogen bonds generate R(2) (2)(8) loops. The dimers are linked by N-H⋯F hydrogen bonds, forming polymeric chains propagating in [100]. π-π inter-actions also exist between the centroids of the benzene rings of the 2-oxoindoline group at a distance of 3.543 (3) Å and a short C=O⋯π contact occurs. Two F atoms of the trifluoro-methyl group are disordered over two sets of sites in a 0.517 (8):0.483 (8) ratio.

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