Browse
Submit Data
Databases
API
Help

Dataset Information

16 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

(E)-1-[2-(2-Nitro-styr-yl)-1-phenyl-sulfonyl-1H-indol-3-yl]propan-1-one.

ABSTRACT: In the title compound, C25H20N2O5S, the phenyl ring makes dihedral angles of 89.88?(8) and 13.98?(8)°, respectively, with the indole ring system and the nitro-benzene ring. The dihedral angle between the indole ring system and the nitro-benzene ring is 88.48?(11)°. The mol-ecular structure is stabilized by a weak intra-molecular C-H?O inter-action. In the crystal, ?-? inter-actions, with centroid-centroid distances of 3.6741?(18) and 3.8873?(17)?Å, link the mol-ecules into layers parallel to the ab plane.

SUBMITTER: Kanchanadevi J

PROVIDER: S-EPMC3998310 | biostudies-literature | 2014 Feb

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

(E)-1-[2-(2-Nitro-styr-yl)-1-phenyl-sulfonyl-1H-indol-3-yl]propan-1-one.

Kanchanadevi J J Anbalagan G G Saravanan V V Mohanakrishnan A K AK Gunasekaran B B Manivannan V V

Acta crystallographica. Section E, Structure reports online 20140115 Pt 2

In the title compound, C25H20N2O5S, the phenyl ring makes dihedral angles of 89.88 (8) and 13.98 (8)°, respectively, with the indole ring system and the nitro-benzene ring. The dihedral angle between the indole ring system and the nitro-benzene ring is 88.48 (11)°. The mol-ecular structure is stabilized by a weak intra-molecular C-H⋯O inter-action. In the crystal, π-π inter-actions, with centroid-centroid distances of 3.6741 (18) and 3.8873 (17) Å, link the mol-ecules into layers parallel to the ...[more]

PMID: 24764871

Similar Datasets

(E)-1-[2-(4-Chloro-2-nitro-styr-yl)-1-phenyl-sulfonyl-1H-indol-3-yl]propan-1-one.

Project description:In the title compound, C25H19ClN2O5S, the phenyl ring forms dihedral angles of 79.62?(12) and 80.02?(13)° with the indole ring system and the benzene ring, respectively. The nitro group is twisted at an angle of 22.39?(11)° with respect to the attached benzene ring. In the crystal, mol-ecules assemble into double layers in the ab plane via C-H?O inter-actions.

| S-EPMC4004433 | biostudies-literature

(E)-1-[2-(4-Fluoro-2-nitro-styr-yl)-1-phenyl-sulfonyl-1H-indol-3-yl]propan-1-one.

Project description:In the title compound, C25H19FN2O5S, the substituted phenyl ring makes a dihedral angle of 12.26?(9)° with the indole ring system. The nitro group is twisted at an angle of 26.92?(8)° out of the plane of the ring to which it is attached. The mol-ecular structure is stabilized by weak C-H?O hydrogen bonds. In the crystal, weak C-H?O, C-H?F and ?-? [centroid-centroid distance = 3.6645?(11)?Å] inter-actions link the mol-ecules, forming a three-dimensional network.

| S-EPMC3885049 | biostudies-literature

Crystal structure of 3-(2-nitro-phen-yl)-1-(1-phenyl-sulfonyl-1H-indol-3-yl)propan-1-one.

Project description:In the title compound, C23H18N2O5S, the phenyl and benzene rings subtend dihedral angles of 78.18?(10) and 30.18?(9)°, respectively, with the indole ring system (r.m.s. deviation = 0.022?Å). The crystal structure features weak C-H?O and C-H?? inter-actions, which link the mol-ecules into a three-dimensional network.

| S-EPMC4645035 | biostudies-literature

(E)-2-Bromo-1-[2-(2-nitro-styr-yl)-1-phenyl-sulfonyl-1H-indol-3-yl]ethanone.

Project description:In the title compound C24H17BrN2O5S, the phenyl ring makes dihedral angles of 85.4?(2) and 8.8?(2)° with the indole ring system and the nitro-benzene ring, respectively, while the indole ring system and nitrobenzene ring make a dihedral angle of 80.1?(2)°. In the crystal, weak C-H?O inter-actions link the mol-ecules, forming a two-dimensional network parallel to the bc plane.

| S-EPMC3998311 | biostudies-literature

1-(2-Bromo-meth-yl-1-phenyl-sulfonyl-1H-indol-3-yl)propan-1-one.

Project description:In the title compound, C18H16BrNO3S, the dihedral angle between the phenyl ring and the indole ring system is 89.91?(11)°. The mol-ecular structure features weak C-H?O and C-H?Br hydrogen bonds. In the crystal, mol-ecules are linked by weak C-H?O hydrogen bonds, forming chains along the a-axis direction. The chains are further linked by C-H?? inter-actions, forming a layer parallel to the ab plane.

| S-EPMC3885060 | biostudies-literature

2-Bromo-1-(1-phenyl-sulfonyl-1H-indol-3-yl)propan-1-one.

Project description:In the title compound, C17H14BrNO3S, the phenyl ring makes a dihedral angle of 89.78?(16)° with the plane of the indole ring system. The terminal Br atom and the methyl group are disordered over two sets of sites, with site occupancies of 0.860?(2) and 0.140?(2). In the crystal, mol-ecules are linked into a chain along the b-axis direction by weak C-H?O hydrogen bonds. The chains are further linked by C-H?? inter-actions, forming layers parallel to the bc plane.

| S-EPMC3998462 | biostudies-other

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

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

Crystal structures of three indole derivatives: 3-ethnyl-2-methyl-1-phenyl-sulfonyl-1H-indole, 4-phenyl-sulfonyl-3H,4H-cyclo-penta-[b]indol-1(2H)-one and 1-{2-[(E)-2-(5-chloro-2-nitro-phen-yl)ethen-yl]-1-phenyl-sulfonyl-1H-indol-3-yl}ethan-1-one chloro-form monosolvate.

Project description:The title compounds, C17H13NO2S, (I), C17H13NO3S, (II), and C24H17ClN2O5S·CHCl3, (III), are indole derivatives. Compounds (I) and (II) crystalize with two independent mol-ecules in the asymmetric unit. The indole ring systems in all three structures deviate only slightly from planarity, with dihedral angles between the planes of the pyrrole and benzene rings spanning the tight range 0.20?(9)-1.65?(9)°. These indole ring systems, in turn, are almost orthogonal to the phenyl-sulfonyl rings [range of dihedral angles between mean planes = 77.21?(8)-89.26?(8)°]. In the three compounds, the mol-ecular structure is stabilized by intra-molecular C-H?O hydrogen bonds, generating S(6) ring motifs with the sulfone O atom. In compounds (I) and (II), the two independent mol-ecules are linked by C-H?O hydrogen bonds and C-H?? inter-actions, while in compound (III), the mol-ecules are linked by C-H?O hydrogen bonds, generating R 2 (2)(22) inversion dimers.

| S-EPMC4555396 | 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

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