Browse
Submit Data
Databases
API
Help

Dataset Information

12 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

3-(4-Methoxy-benz-yl)-2-methyl-1-phenyl-sulfonyl-1H-indole.

ABSTRACT: There are two crystallographically independent mol-ecules in the asymmetric unit of the title compound, C(23)H(21)NO(3)S. The indole ring system is approximately perpendicular to the sulfonyl phenyl ring in both mol-ecules [dihedral angles = 85.42?(8) and 88.30?(9)°]. C-H?O inter-actions between mol-ecules stabilize the crystal structure.

SUBMITTER: Kavitha T

PROVIDER: S-EPMC2968905 | biostudies-other | 2009

REPOSITORIES: biostudies-other

ACCESS DATA

Json Xml

Publications

3-(4-Methoxy-benz-yl)-2-methyl-1-phenyl-sulfonyl-1H-indole.

Kavitha T T Thenmozhi M M Dhayalan V V Mohanakrishnan A K AK Ponnuswamy M N MN

Acta crystallographica. Section E, Structure reports online 20090325 Pt 4

There are two crystallographically independent mol-ecules in the asymmetric unit of the title compound, C(23)H(21)NO(3)S. The indole ring system is approximately perpendicular to the sulfonyl phenyl ring in both mol-ecules [dihedral angles = 85.42 (8) and 88.30 (9)°]. C-H⋯O inter-actions between mol-ecules stabilize the crystal structure. ...[more]

PMID: 21582566

Similar Datasets

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

2-Azido-methyl-3-methyl-1-phenyl-sulfonyl-1H-indole.

Project description:In the title compound, C(16)H(14)N(4)O(2)S, the plane of the indole ring is twisted by 70.4?(2)° with respect to the plane of the azidomethyl- substituent. As a result of the electron-withdrawing character of the phenyl-sulfonyl groups, the N-C bond lengths are slightly longer than the anti-cipated value of approximately 1.355?Å for an N atom with a planar configuration. The indole ring is essentially planar, with a maximum deviation of 0.0296?Å. The azide group is almost linear, the N-N-N angle being 171.4?(3)°. The methyl group on the azide-substituted C atom is in a flagpole position. The phenyl ring of the sulfonyl substituent makes a dihedral angle of 87.07?(10)° with the best plane of the indole moiety. The crystal packing is stabilized by inter-molecular C-H?O inter-actions, which link the mol-ecules into infinite chains running parallel to the b axis. The crystal packing is further stabilized by C-H?? inter-actions.

| S-EPMC3200696 | biostudies-literature

2-Chloro-methyl-3-methyl-1-phenyl-sulfonyl-1H-indole.

Project description:In the title compound, C(16)H(14)ClNO(2)S, the phenyl ring makes a dihedral angle of 78.1 (1)° with the indole ring system. The mol-ecular structure is stabilized by weak intra-molecular C-H⋯O inter-actions. The crystal structure exhibits weak inter-molecular C-H⋯O, C-H⋯π and π-π [centroid-centroid distances = 3.620 (1)-3.794 (1) Å] inter-actions.

| S-EPMC2970994 | biostudies-literature

3-Iodo-2-methyl-1-phenyl-sulfonyl-1H-indole.

Project description:In the title compound, C(15)H(12)INO(2)S, the sulfonyl-bound phenyl ring forms a dihedral angle 82.84 (9)° with the indole ring system. The mol-ecular structure is stabilized by a weak intra-molecular C-H⋯O hydrogen bond. The crystal structure exhibits weak inter-molecular C-H⋯π inter-actions and π-π inter-actions between the indole groups [centroid-centroid distance between the five-membered and six-membered rings of the indole group = 3.7617 (18) Å].

| S-EPMC3051985 | biostudies-literature

(Z)-3-(1-Chloro-prop-1-en-yl)-2-methyl-1-phenyl-sulfonyl-1H-indole.

Project description:In the title compound, C18H16ClNO2S, the indole ring system forms a dihedral angle of 75.07?(8)° with the phenyl ring. The mol-ecular structure is stabilized by a weak intra-molecular C-H?O hydrogen bond. In the crystal, mol-ecules are linked by weak C-H?O hydrogen bonds, forming a chain along [10-1]. C-H?? inter-actions are also observed, leading to a three-dimensional network.

| S-EPMC3885050 | biostudies-literature

Diethyl 2-{[3-(2,4,6-trimethyl-benz-yl)-1-phenyl-sulfonyl-1H-indol-2-yl]methyl-idene}propane-dioate.

Project description:In the title compound, C(32)H(33)NO(6)S, the indole ring system makes dihedral angles of 62.78?(10) and 80.53?(8)°, respectively, with the phenyl and benzene rings. In the crystal, the mol-ecules are linked through inter-molecular C-H?O hydrogen bonds, forming a chain along the a axis. Between the chains, a weak aromatic ?-? stacking inter-action [centroid-centroid distance = 3.831?(2)?Å] is observed.

| S-EPMC2979489 | biostudies-literature

(2-Methyl-1-phenyl-sulfonyl-1H-indol-3-yl)phenyl-methyl acetate.

Project description:In the title compound, C(24)H(21)NO(4)S, the indole ring system makes dihedral angles of 77.8 (1) and 85.4 (1)°, respectively, with the S- and C-bound phenyl rings. The mol-ecular structure is stabilized by a weak intra-molecular C-H⋯O hydrogen bond. In the crystal, a weak inter-molecular C-H⋯O hydrogen bond and a C-H⋯π inter-action are also observed.

| S-EPMC2970969 | biostudies-literature

1-(2-Methyl-benz-yl)-1H-indole-3-carbaldehyde.

Project description:In the title compound, C(17)H(15)NO, the benzene ring and the indole system are almost perpendicular, making a dihedral angle of 87.82 (6)°. The crystal packing is stabilized by C-H⋯O and π-π stacking inter-actions with centroid-centroid distances of 3.592 (4) Å between the pyrrole and the benzene rings in the indole systems of neighboring mol-ecules.

| S-EPMC3344094 | biostudies-literature

Crystal structure of (E)-2-(4-meth-oxy-styr-yl)-3-methyl-1-phenyl-sulfonyl-1H-indole.

Project description:In the title compound, C24H21NO3S, the dihedral angles between the indole ring system (r.m.s. deviation = 0.030?Å) and the sulfur and ethyl-ene-bonded benzene rings are 80.2?(2) and 49.29?(15)°, respectively. The dihedral angle between the pendant benzene rings is 37.7?(2)°. In the crystal, mol-ecules are linked by C-H?O hydrogen bonds and weak C-H?? and ?-? [centroid-to-centroid distances = 3.549?(2) and 3.743?(3)?Å] inter-actions, forming a three-dimensional network.

| S-EPMC4647445 | 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.

| S-EPMC2970018 | biostudies-literature

OmicsDI is part of the ELIXIR infrastructure

OmicsDI is an Elixir interoperability service. Learn more ›

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