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

ABSTRACT: The title compound, C(15)H(11)FN(4)OS, is almost planar, the dihedral angle between the aromatic ring systems being 5.00?(13)°. The conformation is stabilized by intra-molecular N-H?N and N-H?O hydrogen bonds, which generate S(5) and S(6) rings, respectively. N-H?F and C-H?S inter-actions also occur. In the crystal, inversion dimers linked by pairs of N-H?O hydrogen bonds occur, generating R(2) (2)(8) loops.

SUBMITTER: Pervez H

PROVIDER: S-EPMC2979150 | biostudies-other | 2010

REPOSITORIES: biostudies-other

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

Pervez Humayun H Yaqub Muhammad M Ramzan Muhammad M Iqbal Mohammad S MS Tahir M Nawaz MN

Acta crystallographica. Section E, Structure reports online 20100402 Pt 5

The title compound, C(15)H(11)FN(4)OS, is almost planar, the dihedral angle between the aromatic ring systems being 5.00 (13)°. The conformation is stabilized by intra-molecular N-H⋯N and N-H⋯O hydrogen bonds, which generate S(5) and S(6) rings, respectively. N-H⋯F and C-H⋯S inter-actions also occur. In the crystal, inversion dimers linked by pairs of N-H⋯O hydrogen bonds occur, generating R(2) (2)(8) loops. ...[more]

PMID: 21579082

Similar Datasets

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 π-π inter-actions [centroid-centroid distances in the range 3.520 (2)-3.820 (9) Å].

| S-EPMC2983261 | biostudies-literature

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.

| S-EPMC3007868 | biostudies-literature

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

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.

| S-EPMC2979529 | biostudies-literature

1-(1-Nonyl-2-oxoindolin-3-yl-idene)thio-semicarbazide.

Project description:In the title compound, C(18)H(26)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 through N-H?O hydrogen bonds, forming zigzag chains running along the b axis. The nonyl chain adopts an extended zigzag conformation.

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1-(1-Decyl-2-oxoindolin-3-yl-idene)thio-semicarbazide.

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.

| S-EPMC2979634 | biostudies-literature

1-(5-Nitro-2-oxoindolin-3-yl-idene)thio-semicarbazide.

Project description:In the title molecule, C(9)H(7)N(5)O(3)S, there is an intramolecular N-H⋯O. The molecule is essentially planar, with the maximum deviation from the mean plane of the 18 non-H atoms being 0.135 (2) Å for the amine N atom. In the crystal, the molecules are connected via intermolecular N-H⋯O and N-H⋯S hydrogen bonds, forming two-dimensional networks lying parallel to (10[Formula: see text]). They are separated by an interplanar distance of 3.3214 (9) Å, leading to π-π interactions which stabilize the crystal structure.

| S-EPMC3247594 | biostudies-literature

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.

| S-EPMC3152066 | biostudies-literature

1-(5-Bromo-2-oxoindolin-3-yl-idene)-4-phenyl-thio-semicarbazide.

Project description:In the title compound, C15H11BrN4OS, the least-squares plane through the 5-bromo-isatin fragment forms a dihedral angle of 13.63 (14)° with the phenyl ring. The mol-ecular conformation features intra-molecular N-H⋯N and N-H⋯O hydrogen bonds. In the crystal, mol-ecules are connected via pairs of N-H⋯O inter-actions into centrosymmetric dimers. Additionally, π-π stacking inter-actions link mol-ecules into chains parallel to the a axis with short C⋯C distances being observed between the phenyl and thio-carbonyl [3.236 (8) Å] groups and between the thio-carbonyl and carbonyl [3.351 (4) Å] groups of stacked mol-ecules.

| S-EPMC3793820 | biostudies-literature

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

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.

| S-EPMC3006908 | biostudies-other

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

Project description:In the title compound, C(15)H(11)N(5)O(3)S, intra-molecular N-H?N hydrogen bonding forms an S(5) ring motif, whereas N-H?O and C-H?S inter-actions type complete S(6) ring motifs. The 2-oxoindoline and 3-methoxy-phenyl rings are almost planar, with r.m.s. deviations of 0.0178 and 0.0149?Å, respectively, and form a dihedral angle of 33.59?(3)°. In the crystal, mol-ecules are inter-linked through the nitro groups in an end-to-end fashion via N-H?O and C-H?O inter-actions.

| S-EPMC2979516 | biostudies-other

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