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

ABSTRACT: 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]. ?-? 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?? 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.

SUBMITTER: Ramzan M

PROVIDER: S-EPMC3007868 | biostudies-other | 2010

REPOSITORIES: biostudies-other

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

Ramzan Muhammad M Pervez Humayun H Yaqub Muhammad M Tahir M Nawaz MN

Acta crystallographica. Section E, Structure reports online 20100825 Pt 9

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 ...[more]

PMID: 21588723

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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 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:The crystal structure of the title compound, C(16)H(11)F(3)N(4)O(2)S, is stabilized in the form of polymeric chains by N-H?O inter-actions. In the mol-ecular structure, two S(5) ring motifs are formed by intra-molecular N-H?N and N-H?O hydrogen bonding and two S(6) rings are present due to N-H?O and C-H?S inter-actions. ?-? inter-actions are present with distances of 3.2735?(17), 3.563?(2) and 3.664?(4)/3.688?(3)?Å between the centroids of the heterocyclic rings, between the centroids of the heterocyclic ring and trifluoro-meth-oxy-substituted phenyl ring, and between the centroids of the trifluoro-meth-oxy-substituted phenyl rings, respectively. The trifluoro-meth-oxy-phenyl group is disordered over two sites with an occupancy ratio of 0.642?(10):0.358?(10).

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Project description:The title compound, C(17)H(16)N(4)OS, is stabilized in the form of a two-dimensional polymeric network due to inter-molecular N-H?S and N-H?O hydrogen bonds. An intra-molecular N-H?N hydrogen bond forms an S(5) ring, whereas inter-actions of the N-H?O and C-H?S types complete S(6) ring motifs. ?-? inter-actions with a centroid-centroid distance of 3.6514?(10)?Å are found between the ethyl-substituted benzene ring and the heterocyclic ring of the isatin derivative.

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