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Dimethyl 3,3'-(phenyl-methyl-ene)bis-(1H-indole-2-carboxyl-ate).

ABSTRACT: In the title compound, C27H22N2O4, the two indole ring systems are approximately perpendicular to each other, with a dihedral angle of 84.5?(5)° between their planes; the benzene ring is twisted with respect to the two indole ring systems at angles of 78.5?(5) and 86.5?(3)°. In the crystal, mol-ecules are linked by N-H?O hydrogen bonds, weak C-H?O and C-H?N hydrogen bonds, and C-H?? inter-actions into a three-dimensional supra-molecular architecture.

SUBMITTER: Sun HS

PROVIDER: S-EPMC3790385 | biostudies-literature | 2013

REPOSITORIES: biostudies-literature

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Dimethyl 3,3'-(phenyl-methyl-ene)bis-(1H-indole-2-carboxyl-ate).

Sun Hong-Shun HS Li Yu-Long YL Xu Ning N Xu Hong H Zhang Ji-Dong JD

Acta crystallographica. Section E, Structure reports online 20130907 Pt 10

In the title compound, C27H22N2O4, the two indole ring systems are approximately perpendicular to each other, with a dihedral angle of 84.5 (5)° between their planes; the benzene ring is twisted with respect to the two indole ring systems at angles of 78.5 (5) and 86.5 (3)°. In the crystal, mol-ecules are linked by N-H⋯O hydrogen bonds, weak C-H⋯O and C-H⋯N hydrogen bonds, and C-H⋯π inter-actions into a three-dimensional supra-molecular architecture. ...[more]

PMID: 24098207

Similar Datasets

Crystal structure of dimethyl 3,3'-[(3-fluoro-phenyl)methyl-ene]bis-(1H-indole-2-carboxyl-ate).

Project description:In the title compound, C27H21FN2O4, the mean planes of the two indole ring systems (r.m.s. deviations = 0.0166 and 0.0086 Å) are approximately perpendic-ular to one another, making a dihedral angle of 87.8 (5)°; the fluorobenzene ring is twisted with respect to the mean planes of the two indole ring systems at 82.7 (5) and 85.5 (3)°. In the crystal, pairs of N-H⋯O hydrogen bonds link the mol-ecules into the inversion dimers, which are further linked by N-H⋯O hydrogen bonds into supra-molecular chains propagating along the b-axis direction. Weak C-H⋯π inter-actions are observed between neighbouring chains.

| S-EPMC4257463 | biostudies-literature

Diethyl 3,3'-(phenyl-methyl-ene)bis-(1H-indole-2-carboxyl-ate).

Project description:In the title compound, C(29)H(26)N(2)O(4), the benzene ring is twisted by 73.5?(5) and 84.9?(3)° with respect to the mean planes of the two indole ring systems; the mean planes of the indole ring systems are oriented at a dihedral angle of 82.0?(5)°. In the crystal, mol-ecules are linked by pairs of N-H?O hydrogen bonds into chains.

| S-EPMC3435799 | biostudies-other

Crystal structure of dimethyl 3,3'-[(4-chloro-phen-yl)methyl-ene]bis-(1H-indole-2-carboxyl-ate).

Project description:In the title compound, C27H21ClN2O4, the mean planes of the two indole ring systems (r.m.s. deviations = 0.021 and 0.024 Å) are approximately perpendicular to one another, with a dihedral angle of 79.54 (12)°. The benzene ring is twisted with respect to the mean planes of the two indole ring systems at angles of 80.14 (15) and 86.30 (15)°. In the crystal, mol-ecules are linked by N-H⋯O hydrogen bonds, forming inversion dimers with an R (2) 2(18) ring motif. The dimers are linked by a further N-H⋯O hydrogen bond, forming chains along [100]. There are intra- and inter-molecular C-H⋯π inter-actions present, the latter linking the chains to form a three-dimensional supra-molecular structure.

| S-EPMC4257187 | biostudies-literature

Crystal structure of dimethyl 3,3'-[(4-fluoro-phen-yl)methyl-ene]bis-(1H-indole-2-carboxyl-ate).

Project description:In the title compound, C27H21FN2O4, the mean planes of the indole ring systems (r.m.s. deviations = 0.0263 and 0.0160 Å) are approximately perpendic-ular to one another, making a dihedral angle of 84.0 (5)°; the fluoro-benzene ring is twisted with respect to the mean planes of the two indole ring systems at 89.5 (5) and 84.6 (3)°. In the crystal, pairs of N-H⋯O hydrogen bonds link the mol-ecules into inversion dimers, which are further linked by N-H⋯O hydrogen bonds into supra-molecular chains propagated along the b-axis direction. Weak C-H⋯π inter-actions are observed between neighbouring chains.

| S-EPMC4647434 | biostudies-literature

Crystal structure of dimethyl 3,3'-[(3-nitro-phen-yl)methyl-ene]bis-(1H-indole-2-carboxyl-ate) ethanol monosolvate.

Project description:In the title compound, C27H21N3O6·C2H5OH, the indole ring systems are approximately perpendicular to each other, with a dihedral angle of 89.3 (5)°; the plane of the benzene ring is oriented with respect to the indole ring systems at 49.9 (5) and 73.4 (3)°. In the crystal, mol-ecules are linked by N-H⋯O and O-H⋯O hydrogen bonds and weak C-H⋯π inter-actions into a three-dimensional supra-molecular architecture. A void of 33.0 (7) Å(3) is observed in the crystal structure. The solvent ethanol molecule acts as a donor, forming an O-H⋯O hydrogen bond, reinforcing the framework structure.

| S-EPMC4257280 | biostudies-literature

Ethyl 2-acetoxy-methyl-1-phenyl-sulfonyl-1H-indole-3-carboxyl-ate.

Project description:In the title compound, C(20)H(19)NO(6)S, the phenyl ring of the phenyl-sulfonyl group makes a dihedral angle of 83.35?(5)° with the indole ring system. The mol-ecular structure exhibits a number of short intramolecular C-H?O contacts.

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Crystal structure of diethyl 3,3'-[(4-nitro-phen-yl)methyl-ene]bis-(1<i>H</i>-indole-2-carboxyl-ate).

Project description:In the title compound, C29H25N3O6, the mean planes of the two indole ring systems (r.m.s. deviations = 0.0115 and 0.0082 Å) are approximately perpendic-ular to one another, making a dihedral angle of 89.7 (5)°; the benzene ring is twisted with respect to the two indole ring systems by 52.6 (4) and 88.2 (3)°. In the crystal, pairs of N-H⋯O hydrogen bonds link the mol-ecules into the inversion dimers, which are further linked into supra-molecular chains along the b-axis direction. Weak C-H⋯O hydrogen bonds and C-H⋯π inter-actions are also observed in the crystal.

| S-EPMC5730260 | biostudies-literature

Ethyl 1,3-dimethyl-1H-indole-2-carboxyl-ate.

Project description:In the title compound, C(13)H(15)NO(2), the plane of the indole ring forms a dihedral angle of 5.26?(6)° with the ester group and the ethyl side-chain C atoms. The crystal packing is stabilized by weak inter-molecular C-H?O and C-H?? inter-actions.

| S-EPMC2959652 | biostudies-literature

3,3'-Dimethyl-1,1'-(methyl-enedi-p-phenyl-ene)diimidazolium bis-(hexa-fluoro-phosphate).

Project description:The title N-heterocyclic carbene compound, C(21)H(22)N(4) (2+)·2PF(6) (-), crystallizes as an inversion twin. There are two independent N-heterocyclic carbene dications (A and B) and four independent hexa-fluoro-phosphate anions in the asymmetric unit. The cations are L-shaped with the benzene rings being inclined to one another by 88.82 (16)° in cation A and 87.03 (16)° in cation B. The imidazole rings make dihedral angles of 35.7 (2) and 32.83 (18)° with the attached benzene rings in cation A, and 30.14 (19) and 31.96 (18)° in cation B. In the crystal, the cations are linked via C-H⋯F hydrogen bonds, forming a three-dimensional network. π-π inter-actions involving the benzene and imidazole rings [centroid-centroid distances = 3.602 (2) and 3.723 (2) Å] and C-H⋯π inter-actions are also present.

| S-EPMC3007944 | biostudies-literature

Ethyl 1-phenyl-sulfonyl-1H-indole-2-carboxyl-ate.

Project description:In the title compound, C(17)H(15)NO(4)S, the six-membered ring of the indole unit makes a dihedral angle of 72.40?(5)° with the phenyl ring. The mol-ecular structure features a short C-H?O contact.

| S-EPMC3201292 | biostudies-literature

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