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(Z)-2-(5-Fluoro-2-oxoindolin-3-yl-idene)-N-phenyl-hydrazinecarbothio-amide.

ABSTRACT: The title compound, C(15)H(11)FN(4)OS, crystallizes with three independent mol-ecules (A, B and C) in the asymmetric unit. The dihedral angles between the nine-membered 5-fluoro-indolin-2-one ring system and the benzene ring are 22.14 (11), 12.56 (11) and 3.70 (11)° in mol-ecules A, B and C, respectively. In all three mol-ecules, intra-molecular cyclic N-H⋯O and C-H⋯S hydrogen-bonding inter-actions [graph set S(6)] are present in the N-N-C-N chain between the ring systems. In the crystal, the A mol-ecules form centrosymmetric cyclic dimers through inter-molecular N-H⋯O hydrogen bonds, which are linked into a supramolecular chain along [100] via C-H⋯F interactions; each type of hydrogen bond has graph set graph set R(2) (2)(8). A similar chain stabilised by similar interactions and also along [100] but, comprising alternating molecules of B and C is found. The latter chains are connected via C-H⋯S interactions, forming a layer with a zigzag topology parallel to (001).

SUBMITTER: Ali AQ

PROVIDER: S-EPMC3274981 | biostudies-literature |

REPOSITORIES: biostudies-literature

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Similar Datasets

(Z)-N-Ethyl-2-(5-fluoro-2-oxoindolin-3-yl-idene)hydrazinecarbothio-amide.

Project description:In the title compound, C(11)H(11)FN(4)OS, an intra-molecular N-H?O hydrogen bond generates an S(6) ring. In the crystal, mol-ecules form chains through N-H?O hydrogen bonds, which are extended by N-H?S hydrogen bonds into an infinite three-dimensional network.

| S-EPMC3470224 | biostudies-other

(Z)-2-(5-Chloro-2-oxoindolin-3-yl-idene)-N-phenyl-hydrazinecarbothio-amide.

Project description:In the title compound, C(15)H(11)ClN(4)OS, the dihedral angle between the nine-membered 5-chloro-indolin-2-one ring system and the benzene ring is 10.00?(6)°. Intra-molecular cyclic N-H?O and C-H?S hydrogen-bonding inter-actions [graph set S(6)] are present in the N-N-C-N chain between the ring systems. In the crystal, mol-ecules form centrosymmetric cyclic dimers through inter-molecular N-H?O hydrogen bonds [graph-set R(2) (2)(8)] and are extended by C-H?Cl inter-actions into infinite chains which propagate along [100].

| S-EPMC3238816 | biostudies-other

(Z)-2-(5-Methyl-2-oxoindolin-3-yl-idene)-N-phenyl-hydrazinecarbothio-amide.

Project description:In the title compound, C(16)H(14)N(4)OS, the dihedral angle between the nine-membered 5-methyl-indolin-2-one ring system and the benzene ring is 10.21?(7)°. Intra-molecular cyclic N-H?O and C-H?S hydrogen-bonding inter-actions [graph set S(6)] are present within the N-N-C-N chain between the ring systems. In the crystal, mol-ecules form centrosymmetric cyclic dimers through pairs of N-H?O hydrogen bonds [graph set R(2) (2)(8)].

| S-EPMC3239102 | biostudies-other

(Z)-2-(5-Chloro-2-oxoindolin-3-yl-idene)-N-methyl-hydrazinecarbothio-amide.

Project description:In the title compound, C(10)H(9)ClN(4)OS, an intra-molecular N-H?O hydrogen-bonding inter-action and an N-H?N inter-action generate ring motifs [graph sets S(6) and S(5), respectively]. In the crystal, mol-ecules form a chain through N-H?O hydrogen bonds, and these are extended by N-H?S hydrogen-bonding inter-actions into an infinite three-dimensional network. The crystal structure also exhibits weak C-H?? inter-actions.

| S-EPMC3354764 | biostudies-literature

(Z)-N-Methyl-2-(5-nitro-2-oxoindolin-3-yl-idene)hydrazinecarbothio-amide.

Project description:In the title compound, C(10)H(9)N(5)O(3)S, an intra-molecular N-H⋯O hydrogen bond generates an S(6) ring motif. In the crystal, mol-ecules are linked via N-H⋯S hydrogen bonds into a zigzag chain along the b axis. C-H⋯O inter-actions are observed between the chains.

| S-EPMC3343934 | biostudies-literature

(Z)-N-Methyl-2-(5-methyl-2-oxoindolin-3-yl-idene)hydrazinecarbothio-amide.

Project description:In the title compound, C(11)H(12)N(4)OS, an intra-molecular N-H⋯O hydrogen bond generates an S(6) ring motif. In the crystal, the mol-ecules form a helical chain along the a axis through an N-H⋯O hydrogen bond. These chains are extended by an N-H⋯S hydrogen bond and a C-H⋯π inter-action into a three-dimensional network.

| S-EPMC3343935 | biostudies-literature

Crystal structure of (Z)-2-(5-fluoro-2-oxoindolin-3-yl-idene)hydrazinecarbo-thio-amide.

Project description:In the title compound, C9H7FN4OS, the mol-ecules are almost planar, with an r.m.s. deviation of 0.047?(3)?Å from the mean plane defined by the non-H atoms and a maximum deviation of 0.123?(2)?Å for the amine N atom. The torsion angle for the N-N-C-S unit is 176.57?(19)°. In the crystal, mol-ecules are linked into inversion dimers via pairs of N-H?F hydrogen bonds and, additionally, through N-H?O and N-H?S hydrogen bonds, building a two-dimensional hydrogen-bond network parallel to the (103) plane. An intra-molecular N-H?O inter-action is also observed.

| S-EPMC4459295 | biostudies-literature

(2E)-N-Methyl-2-[(2E)-3-phenyl-prop-2-en-1-yl-idene]hydrazinecarbothio-amide.

Project description:The title compound, C(11)H(13)N(3)S, is close to being planar, with a dihedral angle of 9.64?(3)° between the benzene ring and the thio-semicarbazone mean plane, maintained by the presence of ?-conjugation in the chain linking the the two systems. In the crystal, N-H?S hydrogen bonds form centrosymmetric dimers through a cyclic association [graph-set R(2) (2)(8)].

| S-EPMC3470202 | biostudies-literature

2-(1,2,3,4-Tetra-hydro-naphthalen-1-yl-idene)hydrazinecarbothio-amide.

Project description:The mol-ecular structure of the title compound, C(11)H(13)N(3)S, is not planar: the maximum deviation from the mean plane of the non-H atoms is 0.521?(2)?Å for an aliphatic C atom, which corresponds to an envelope conformation for the non-aromatic ring. The hydrazinecarbothio-amide substituent and the benzene ring have maximum deviations from the mean planes through the non-H atoms of 0.0288?(16) and 0.0124?(27)?Å, respectively, and the dihedral angle between the two planes is 8.84?(13)°. In the crystal, mol-ecules are linked into chains along [1[Formula: see text]0] by pairs of N-H?S hydrogen bonds between mol-ecules related by centres of symmetry.

| S-EPMC3415020 | biostudies-literature

(2E)-2-[(3-Methyl-5-phen-oxy-1-phenyl-1H-pyrazol-4-yl)methyl-idene]hydrazinecarbothio-amide.

Project description:In the title compound, C(18)H(17)N(5)OS, the mean plane of the pyrazole ring [maximum deviation = 0.0031 (12) Å] forms dihedral angles of 19.6 (4) and 9.3 (5)° with the two disorder components of the N-bound benzene ring (with equal occupancies for the two orientations) and a dihedral angle of 72.58 (8)° with the C-O-bonded benzene ring. The mol-ecule exists in a trans conformation with respect to the N=C bond [1.2792 (19) Å]. The mol-ecular structure features an intra-molecular C-H⋯O hydrogen bond, forming an S(6) ring. In the crystal, N-H⋯N and N-H⋯S hydrogen bonds result in the formation of zigzag layers lying parallel to (10-1).

| S-EPMC3393955 | biostudies-literature

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