Browse
Submit Data
Databases
API
Help

Dataset Information

19 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

(Phen-yl)(1-phenyl-sulfonyl-1H-indol-3-yl)methanone.

ABSTRACT: In the title compound, C(21)H(15)NO(3)S, the sulfonyl-bound phenyl ring forms a dihedral angle of 86.28?(5)° with the indole ring system. The mol-ecular structure is stabilized by intra-molecular C-H?O hydrogen bonds. The crystal packing is stabilized by weak inter-molecular C-H?O and C-H?? inter-actions.

SUBMITTER: Chakkaravarthi G

PROVIDER: S-EPMC3009149 | biostudies-other | 2010

REPOSITORIES: biostudies-other

ACCESS DATA

Json Xml

Publications

(Phen-yl)(1-phenyl-sulfonyl-1H-indol-3-yl)methanone.

Chakkaravarthi G G Panchatcharam R R Dhayalan V V Mohanakrishnan A K AK Manivannan V V

Acta crystallographica. Section E, Structure reports online 20101023 Pt 11

In the title compound, C(21)H(15)NO(3)S, the sulfonyl-bound phenyl ring forms a dihedral angle of 86.28 (5)° with the indole ring system. The mol-ecular structure is stabilized by intra-molecular C-H⋯O hydrogen bonds. The crystal packing is stabilized by weak inter-molecular C-H⋯O and C-H⋯π inter-actions. ...[more]

PMID: 21589073

Similar Datasets

Phen-yl(1-phenyl-sulfonyl-1H-indol-2-yl)methanone.

Project description:The asymmetric unit of the title compound, C(21)H(15)NO(3)S, contains two crystallographically independent mol-ecules. As a result of the electron-withdrawing character of the phenyl-sulfonyl groups, the N-Csp(2) bond lengths are slightly longer than the anti-cipated value of approximately 1.35 Å for N atoms with planar configurations. Both unique S atoms have a distorted tetra-hedral configuration. In each mol-ecule, the indole ring system is essentially planar (r.m.s. deviations for all non-H atoms of 0.020 and 0.023 Å). In one mol-ecule, the indole ring system makes dihedral angles of 65.7 (8) and 73.4 (8)°, respectively, with the benzene and phenyl rings [62.2 (7) and 72.1 (7)°, respectively, in the other mol-ecule].

| S-EPMC3099964 | biostudies-literature

Phen-yl(3-methyl-1-phenyl-sulfonyl-1H-indol-2-yl)methanone.

Project description:In the title compound, C(22)H(17)NO(3)S, the N atom of the indole ring system deviates by 0.031?(3)?Å from a least-squares plane fitted through all nine non-H ring atoms. The geometry around the S atom can be described as distorted tetra-hedral. As a result of the electron-withdrawing character of the phenyl-sulfonyl groups, the N-Csp(2) bond lengths are longer than the typical mean value for N atoms with a planar configuration.

| S-EPMC3089169 | biostudies-literature

(1-Phenyl-sulfonyl-1H-indol-2-yl)(thio-phen-2-yl)methanone.

Project description:The crystal studied of the title compound, C(19)H(13)NO(3)S(2), was found to be a non-merohedral twin with a domain ratio of 0.877?(3):0.123?(3). There are two independent mol-ecules in the asymmetric unit. The dihedral angles between the mean plane of the indole ring system and the phenyl-sulfonyl ring are 71.67?(13) and 71.95?(13)° in the two mol-ecules while the indole unit and the thiophene ring make dihedral angles of 54.91?(12) and 56.92?(13)° in the two molecules. The crystal packing is stabilized by weak C-H?? inter-actions.

| S-EPMC3052024 | biostudies-literature

(4-Bromo-phen-yl)(1-phenyl-sulfonyl-1H-indol-2-yl)methanone.

Project description:In the title compound, C(21)H(14)BrNO(3)S, the indole ring system forms dihedral angles of 65.64?(8) and 59.30?(8)°, respectively, with the phenyl and bromo-phenyl rings. In the crystal, mol-ecules are connected by a C-H?O hydrogen bond, forming a chain along [101]. The chains are further connected by weak inter-molecular C-H?? inter-actions, forming a layer parallel to the ac plane.

| S-EPMC3009294 | biostudies-literature

Crystal structure of (2-bromo-methyl-1-phenyl-sulfonyl-1H-indol-3-yl)(phen-yl)methanone.

Project description:In the title compound, C22H16BrNO3S, the phenyl rings make dihedral angles of 84.81 (16) and 61.67 (17)° with the indole ring system (r.m.s. deviation = 0.012 Å), while the phenyl rings are inclined to one another by 69.5 (2)°. The mol-ecular structure is stabilized by weak intra-molecular C-H⋯O hydrogen bonds. The sulfonyl S atom has a distorted tetra-hedral configuration. In the crystal, there are no significant inter-molecular inter-actions present.

| S-EPMC4384623 | biostudies-literature

(4-Bromo-phen-yl)(1H-indol-7-yl)methanone.

Project description:In the crystal, the mol-ecules of the title compound, C(15)H(10)BrNO, are connected into centrosymmetric dimers by pairs of N-H?O hydrogen bonds. The dihedral angle between the planes of indole ring system and benzene ring is 50.13?(5)°. The indole plane is significantly less twisted from the plane of the central C-C(=O)-C bridge than the benzene plane [dihedral angles = 15.51?(3) and 40.13?(7)°, respectively]. The bond angles within the benzene ring show an approximately additive effect of the influence of both substituents.

| S-EPMC2971073 | biostudies-literature

Crystal structure of (2-methyl-1-phenyl-sulfon-yl-1H-indol-3-yl)(phen-yl)methanone.

Project description:In the title compound, C22H17NO3S, the sulfonyl-bound phenyl ring is almost orthogonal to the indole ring system, making a dihedral angle of 84.89?(7)°. The carbonyl-bound phenyl ring forms a dihedral angle of 57.32?(5)° with the indole ring system. The two phenyl rings are inclined at 52.68?(7)°. The S atom has a distorted tetra-hedral configuration. In the crystal, weak C-H?O inter-actions link the mol-ecules, forming a helical chain along the b-axis direction.

| S-EPMC4384539 | biostudies-literature

1-{2-[(E)-2-(2-Nitro-phen-yl)ethen-yl]-1-phenyl-sulfonyl-1H-indol-3-yl}ethanone.

Project description:In the title compound, C24H18N2O5S, the S atom has a distorted tetra-hedral configuration, with bond angles varying from 105.11?(7) to 119.98?(8)°. As a result of the electron-withdrawing character of the phenyl-sulfonyl group, the N-Csp (2) bond lengths [1.414?(2) and 1.413?(2)?Å] are slightly longer than the reported value of 1.355?(14)?Å for N atoms with a planar configuration. The indole moiety is essentially planar, with a maximum deviation of 0.0177?(14)?Å for the N atom. The phenyl ring of the sulfonyl substituent makes a dihedral angle of 85.70?(7)° with the mean plane of the indole moiety. The mol-ecular structure features intra-molecular C-H?O hydrogen bonds, which generate S(6) and S(12) ring motifs. In the crystal, adjacent mol-ecules are linked via C-H?O hydrogen bonds, forming infinite C(7) chains running along the a-axis direction. The crystal packing also features C-H?? inter-actions, which form a three-dimensional structure.

| S-EPMC3884461 | biostudies-literature

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

Project description:In the title compound, C(16)H(15)NO(3)S, the plane of the phenyl ring forms a dihedral angle of 80.37?(8)° with the indole ring system. The crystal packing is stabilized by weak O-H?O hydrogen bonds which link the mol-ecules into infinite chains along the a axis of the crystal.

| S-EPMC2960400 | 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

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