Browse
Submit Data
Databases
API
Help

Dataset Information

31 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

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

ABSTRACT: 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.

SUBMITTER: Dutkiewicz G

PROVIDER: S-EPMC2971073 | biostudies-literature | 2009 Oct

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

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

Dutkiewicz Grzegorz G Chidan Kumar C S CS Yathirajan H S HS Kubicki Maciej M

Acta crystallographica. Section E, Structure reports online 20091031 Pt 11

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 ...[more]

PMID: 21578509

Similar Datasets

(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

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⋯π inter-actions.

| S-EPMC3052024 | 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

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

Project description: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.

| S-EPMC3009149 | biostudies-other

(5-Bromo-2-hydroxy-phen-yl)(phen-yl)methanone.

Project description:In the title compound, C(13)H(9)BrO(2), the mol-ecular conformation is stabilized by an intra-molecular O-H?O hydrogen bond. In the crystal structure, weak inter-molecular C-H?O hydrogen-bonding inter-actions link the mol-ecules into chains along the c-axis direction.

| S-EPMC2959262 | biostudies-literature

(5-Bromo-2-hydroxy-phen-yl)(phen-yl)methanone.

Project description:In the title compound, C(13)H(9)BrO(2), the dihedral angle between the aromatic ring planes is 53.6 (1)°. The crystal structure is stabilized by intra-molecular O-H⋯O and inter-molecular C-H⋯O hydrogen bonding and C-H⋯π inter-actions.

| S-EPMC2960004 | biostudies-literature

{2-[(1H-Indol-3-yl-methyl-idene)amino]-4,5,6,7-tetra-hydro-benzo[b]thio-phen-3-yl}(phen-yl)methanone.

Project description:The title compound, C24H20N2OS, crystallizes with two independent mol-ecules (A and B) in the asymmetric unit, in each of which the cyclo-hexene rings adopt half-chair conformations. The mean plane of the indole ring is twisted from those of the phenyl and thio-phene rings by 69.0 (7) and 8.3 (5)°, respectively, in mol-ecule A and by 65.4 (9) and 6.7 (5)°, respectively, in mol-ecule B. The dihedral angles between the mean planes of the phenyl and thio-phene rings are 63.0 (4) and 58.8 (9)° in mol-ecules A and B, respectively. In the crystal, N-H⋯O hydrogen bonds lead to the formation of an infinite chain along [101]. In addition, π-π stacking inter-actions are observed involving the thio-phene and pyrrole rings of the two mol-ecules, with a shortest inter-centroid distance of 3.468 (2) Å.

| S-EPMC3998588 | 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