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2-Oxoindolin-3-yl acetate.

ABSTRACT: In the title compound, C(10)H(9)NO(3), the mean plane through the acetate group forms a dihedral angle of 83.39 (5)° with the plane of the indole ring system. In the crystal, pairs of centrosymmetrically related mol-ecules are linked into dimers by N-H⋯O hydrogen bonds. The dimers are further connected into layers parallel to the bc plane by C-H⋯O hydrogen bonds.

SUBMITTER: Deng Q

PROVIDER: S-EPMC3099975 | biostudies-literature |

REPOSITORIES: biostudies-literature

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Crystal structure of methyl (E)-2-(1-methyl-2-oxoindolin-3-yl-idene)acetate.

Project description:The title compound, C12H11NO3, is essentially planar, with the mean plane of the acetate side chain [-C-C(=O)-O-C] being inclined to the mean plane of the indole ring system by 12.49 (7)°. The five- and six-membered rings of the indole group are almost coplanar, making a dihedral angle of 1.76 (8)°. The conformation about the C=C bond is E and there is an intra-molecular C-H⋯O hydrogen bond present. In the crystal, mol-ecules are linked by pairs of C-H⋯O hydrogen bonds forming inversion dimers, with an R 2 (2)(16) ring motif. The dimers are linked by a second pair of C-H⋯O hydrogen bonds, enclosing R 2 (2)(16) ring motifs, forming ribbons lying parallel to (-114). The ribbons are linked via C-H⋯π inter-actions, forming a three-dimensional structure.

| S-EPMC4350746 | biostudies-literature

N'-(1-Allyl-2-oxoindolin-3-yl-idene)benzohydrazide.

Project description:In the title compound, C(18)H(15)N(3)O(2), the dihedral angle between the ring systems is 15.1?(1)°. The amino H atom is hydrogen bonded to the exocyclic O atom of the five-membered ring, forming an S(6) motif.

| S-EPMC3007202 | biostudies-literature

3-Amino-N'-(2-oxoindolin-3-yl-idene)benzohydrazide.

Project description:The title compound, C(15)H(12)N(4)O(2), contains two substituted benzohydrazide and indole rings linked via a C=N double bond. The dihedral angle between the benzene ring and the indole ring system is 11.38?(10)°. The mol-ecular structure is stabilized by an intra-molecular N-H?O hydrogen bond, forming a six-membered ring. The crystal structure is consolidated by inter-molecular N-H?O and C-H?O inter-actions, which result in sheets.

| S-EPMC3213601 | 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

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

2-(1-Methyl-2-oxoindolin-3-yl-idene)malono-nitrile.

Project description:The title mol-ecule, C12H7N3O, is almost planar, with an r.m.s. deviation of 0.026?Å. No directional interactions could be detected in the crystal.

| S-EPMC3770372 | 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.

| S-EPMC2979500 | biostudies-literature

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-Bromo-2-oxoindolin-3-yl-idene)thio-semicarbazone.

Project description: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.

| S-EPMC3793752 | biostudies-literature

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