Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

2-Methyl-1-phenyl-sulfonyl-1H-indole-3-carbaldehyde.

ABSTRACT: In the title compound, C(16)H(13)NO(3)S, the sulfonyl-bound phenyl ring forms a dihedral angle of 84.17?(6)° with the indole ring system. An intra-molecular C-H?O hydrogen bond generates an S(6) ring motif. The crystal structure exhibits weak inter-molecular C-H?O hydrogen bonds and ?-? inter-actions between the five- and six-membered rings of the indole group [centroid-centroid distance = 3.6871?(9)?Å].

SUBMITTER: Ramathilagam C

PROVIDER: S-EPMC3201221 | biostudies-other | 2011 Oct

REPOSITORIES: biostudies-other

ACCESS DATA

Json Xml

Publications

2-Methyl-1-phenyl-sulfonyl-1H-indole-3-carbaldehyde.

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

Acta crystallographica. Section E, Structure reports online 20110914 Pt 10

In the title compound, C(16)H(13)NO(3)S, the sulfonyl-bound phenyl ring forms a dihedral angle of 84.17 (6)° with the indole ring system. An intra-molecular C-H⋯O hydrogen bond generates an S(6) ring motif. The crystal structure exhibits weak inter-molecular C-H⋯O hydrogen bonds and π-π inter-actions between the five- and six-membered rings of the indole group [centroid-centroid distance = 3.6871 (9) Å]. ...[more]

PMID: 22058759

Similar Datasets

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⋯π 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

5-Methyl-1H-indole-3-carbaldehyde.

Project description:The title mol-ecule, C(10)H(9)NO, is almost planar with an r.m.s. deviation for all non-H atoms of 0.0115 Å. In the crystal, mol-ecules are connected through N-H⋯O hydrogen bonds into chains running along [021]. The chains are further connected via C-H⋯π inter-actions, forming layers in the bc plane.

| S-EPMC3435712 | biostudies-literature

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

Project description: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.

| S-EPMC2968905 | 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

3-Methyl-1-tosyl-1H-indole-2-carbaldehyde.

Project description:The title indole derivative, C(17)H(15)NO(3)S, crystallizes with two independent mol-ecules in the asymmetric unit. The benzene ring of the tosyl group is almost perpedicular to the indole ring in both mol-ecules, with inter-planar angles of 82.60?(5)° and 81.82?(6)°. The two mol-ecules are, as a consequence, able to form an almost centrosymmetric non-bonded dimer, in which the molecules are linked by pairs of C-H?? inter-actions. The crystal structure displays a three-dimensional network of C-H?O inter-actions. A ?-? inter-action occurs between inversion-related indole rings with a centroid-centroid distance of 3.6774?(16)?Å and an inter-planar angle of 1.53?(15)°. This inter-action leads to a stacking of mol-ecules along the a axis.

| S-EPMC3569754 | 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

(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

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

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