Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

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

ABSTRACT: 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.

SUBMITTER: Ramathilagam C

PROVIDER: S-EPMC3201292 | biostudies-literature | 2011 Oct

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

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

Ramathilagam C C Saravanan V V Mohanakrishnan A K AK Umarani P R PR Manivannan V V

Acta crystallographica. Section E, Structure reports online 20110903 Pt 10

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. ...[more]

PMID: 22064777

Similar Datasets

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.

| S-EPMC2970018 | biostudies-literature

Ethyl 2-(3,4-dimethoxy-benz-yl)-1-phenyl-sulfonyl-1H-indole-3-carboxyl-ate.

Project description:In the title compound, C(26)H(25)NO(6)S, the phenyl ring forms a dihedral angle of 82.5?(1)° with the indole ring system. The mol-ecular structure is stabilized by weak intra-molecular C-H?O inter-actions and the crystal structure is stabilized by weak inter-molecular C-H?O inter-actions.

| S-EPMC2977166 | biostudies-literature

Ethyl 2-(bromo-meth-yl)-5-meth-oxy-1-phenyl-sulfonyl-1H-indole-3-carboxyl-ate.

Project description:In the title compound, C(19)H(18)BrNO(5)S, the plane of the phenyl ring forms a dihedral angle of 76.99 (6)° with the indole ring system. The Br atom is disordered over two positions, with site-occupancy factors of 0.833 (14) and 0.167 (14). The mol-ecular structure is stabilized by weak intra-molecular C-H⋯O inter-actions and the crystal packing is stabilized by weak inter-molecular C-H⋯O inter-actions.

| S-EPMC2960959 | biostudies-literature

Ethyl 1-acetyl-1H-indole-3-carboxyl-ate.

Project description:The title compound, C(13)H(13)NO(3), was synthesized by acetyl-ation of ethyl 1H-indole-3-carboxyl-ate. The aromatic ring system of the mol-ecule is essentially planar, but the saturated ethyl group is also located within this plane and the overall r.m.s. deviation from planarity is only 0.034?Å. Pairs of C-H?O inter-actions connect mol-ecules into chains along the diagonal of the unit cell. Mol-ecules also form weakly connected dimers via ??? stacking inter-actions of the indole rings with centroid-centroid separations of 3.571?(1)?Å. C-H?? inter-actions between methyl-ene and methyl groups and the indole and benzene ring complete the directional inter-molecular inter-actions found in the crystal structure.

| S-EPMC2977149 | 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⋯π inter-actions.

| S-EPMC2959652 | biostudies-literature

Ethyl 2-[(phenyl-sulfan-yl)meth-yl]-1-(phenyl-sulfon-yl)-1H-indole-3-carboxyl-ate.

Project description:In the title compound, C(24)H(21)NO(4)S(2), the phenyl rings form dihedral angles of 85.77 (9) and 85.22 (9)° and the ester group forms an angle of 12.61 (10)° with the indane ring. The mol-ecular structure is stabilized by weak intra-molecular C-H⋯O inter-actions.

| S-EPMC2960260 | biostudies-literature

Ethyl 2-benzyl-1-propyl-1H-indole-3-carboxyl-ate.

Project description:In the title compound, C(21)H(23)NO(2), the dihedral angle between the indole ring system and the benzyl ring is 75.92?(9)°. The crystal packing is controlled by C-H?O and C-H?? inter-actions.

| S-EPMC2969616 | biostudies-literature

Crystal structure of ethyl 2-phenyl-9-phenyl-sulfonyl-9H-carbazole-3-carboxyl-ate.

Project description:In the title compound, C27H21NO4S, the dihedral angles between the carbazole ring system (r.m.s. deviation = 0.015 Å) and the sulfur-bonded and directly linked benzene rings are 79.98 (11) and 53.51 (18)°, respectively. The benzene rings subtend a dihedral angle of 48.4 (2)°. The ethyl side chain of the ester group has an extended conformation [C-O-C-C = -172.3 (3)°]. In the crystal, inversion dimers linked by pairs of weak C-H⋯O hydrogen bonds generate R 2 (2)(22) loops. The dimers are linked by weak C-H⋯π and π-π [centroid-to-centroid distances ranging from 3.5042 (14) to 3.888 (2) Å] inter-actions, thereby forming a three-dimensional supra-molecular network.

| S-EPMC4647343 | biostudies-literature

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

Project description: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.

| S-EPMC3790385 | 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-literature

OmicsDI is part of the ELIXIR infrastructure

OmicsDI is an Elixir interoperability service. Learn more ›

Tweets

OmicsDI Databases

PRIDE
PeptideAtlas
MassIVE
JPOST Repository
Physiome Model Repository

EGA
EVA
ENA
LINCS
PAXDB
Cell Collective

MetaboLights
Metabolomics Workbench
MetabolomeExpress
GNPS
BioModels
FAIRDOMHub

ArrayExpress
dbGaP
ExpressionAtlas
GEO
NODE

Information

Databases
Help
API
Contact us
Code on GitHub
Terms of use
Submit Data