Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

9-Meth-oxy-5-phenyl-sulfonyl-5H-benzo[b]carbazole.

ABSTRACT: In the title compound, C(23)H(17)NO(3)S, the mean plane of the benzo[b]carbazole ring system makes a dihedral angle of 77.17?(4)° with the phenyl ring. The S atom is in a distorted tetra-hedral configuration. There are three intra-molecular C-H?O inter-actions forming five- and six-membered rings with graph-set motifs S(5) and S(6), respectively.

SUBMITTER: Chakkaravarthi G

PROVIDER: S-EPMC2960649 | biostudies-literature | 2008 Aug

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

9-Meth-oxy-5-phenyl-sulfonyl-5H-benzo[b]carbazole.

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

Acta crystallographica. Section E, Structure reports online 20080806 Pt 9

In the title compound, C(23)H(17)NO(3)S, the mean plane of the benzo[b]carbazole ring system makes a dihedral angle of 77.17 (4)° with the phenyl ring. The S atom is in a distorted tetra-hedral configuration. There are three intra-molecular C-H⋯O inter-actions forming five- and six-membered rings with graph-set motifs S(5) and S(6), respectively. ...[more]

PMID: 21201699

Similar Datasets

8,9-Dimeth-oxy-5-phenyl-sulfonyl-5H-benzo[b]carbazole.

Project description:In the title compound, C(24)H(19)NO(4)S, the benzocarbazole ring system is planar (r.m.s. deviation = 0.016?Å) and forms a dihedral angle of 78.54?(4)° with the sulfonyl-bound phenyl ring. Intra-molecular C-H?O inter-actions are observed. A C(8) chain running along the b axis is formed via inter-molecular C-H?O hydrogen bonds. The chains are linked via weak C-H? ? inter-actions.

| S-EPMC2979030 | biostudies-literature

7,9-Dimethyl-5-phenyl-sulfonyl-5H-benzo[b]carbazole.

Project description:In the title compound, C(24)H(19)NO(2)S, the mean plane of the benzo[b]carbazole ring system makes a dihedral angle of 79.26?(5)° with the phenyl ring. The S atom is in a distorted tetra-hedral configuration. The crystal structure exhibits weak C-H?O and C-H?? inter-actions.

| S-EPMC2960676 | biostudies-literature

6-Meth-oxy-9-phenyl-sulfonyl-2-(2-thien-yl)-9H-thieno[2,3-b]carbazole.

Project description:In the title compound, C(25)H(17)NO(3)S(3), the mean planes of the thieno[2,3-b]carbazole and phenyl rings are inclined at an angle of 63.6?(1)°. The mol-ecular structure features short intra-molecular C-H?O contacts and the crystal packing exhibits weak inter-molecular C-H?S and ?-? inter-actions [centroid-to-centroid distances 3.734?(2)-3.888?(2)?Å].

| S-EPMC2968599 | biostudies-literature

2-(4,5-Dimeth-oxy-2-nitro-phen-yl)-4-meth-oxy-3-methyl-9-phenyl-sulfonyl-9H-carbazole.

Project description:In the title compound, C28H24N2O7S, the carbazole system is essentially planar, with a maximum deviation of 0.0644 (19) Å for the C atom connected to the 4,5-dimeth-oxy-2-nitro-phenyl group. The dihedral angle between the carbazole moiety and the dimethoxy-substituted nitrophenyl ring is 58.55 (7)°. The sulfonyl group forms two intra-molecular C-H⋯O bonds with the adjacent carbazole system, forming two cyclic S(6) motifs. In the crystal, mol-ecules are linked along the a axis in bands consisting of cyclic R 3 (3)(15) motifs through two further C-H⋯O hydrogen bonds.

| S-EPMC3998409 | biostudies-literature

2-(4,5-Dimeth-oxy-2-nitro-phen-yl)-4-meth-oxy-9-phenyl-sulfonyl-9H-carbazole-3-carbaldehyde.

Project description:In the title compound, C28H22N2O8S, the carbazole ring system is roughly planar, with a maximum deviation of 0.084 (3) Å for the C atom connected to the 4,5-dimeth-oxy-2-nitro-phenyl ring. The dihedral angle between the carbazole system and the dimeth-oxy-substituted nitro-phenyl ring is 57.05 (10)°. The aldehyde C atom deviates by 0.164 (5) Å from its attached carbazole ring system. The mol-ecular structure is stabilized by C-H⋯O inter-actions which generate two S(6) and one S(7) ring motif. In the crystal, mol-ecules are linked by C-H⋯O hydrogen bonds, forming R 3 (3)(15) ring motifs, which are further crosslinked by R 3 (2)(19) ring motifs, resulting in (002) layers. The crystal packing also features C-H⋯π inter-actions.

| S-EPMC3998565 | biostudies-literature

3-Bromo-methyl-4-meth-oxy-2-(2-nitro-phen-yl)-9-phenyl-sulfonyl-9H-carbazole.

Project description:In the title compound, C26H19BrN2O5S, the carbazole tricycle is essentially planar, with the largest deviation being 0.126 (3) Å for the C atom connected to the nitro-phenyl group. The carbazole moiety is almost orthogonal to the benzene rings of the adjacent phenyl-sulfonyl and nitro-phenyl groups, making dihedral angles of 85.43 (15) and 88.62 (12)°, respectively. The mol-ecular conformation is stabilized by two C-H⋯O hydrogen bonds involving the sulfone group, which form similar six-membered rings. In the crystal, mol-ecules symmetrically related by a glide plane are linked in C(6) chains parallel to [001] by C-H⋯O hydrogen bonds formed with the participation of the nitro group. The chains are reinforced by additional C-H⋯π inter-actions.

| S-EPMC4050995 | biostudies-literature

2-(4-Chloro-2-nitro-phen-yl)-4-meth-oxy-9-phenyl-sulfonyl-9H-carbazole-3-carbaldehyde.

Project description:In the sterically hindered title compound, C26H17ClN2O6S, the carbazole ring has a maximum deviation from planarity of 0.067 (4) Å for the C atom connected to the aldehyde group. The carbazole moiety forms a dihedral angle of 72.8 (1)° with the nitro-substituted benzene ring. The O atom of the meth-oxy group deviates by 0.186 (1) Å from the adjacent carbazole moiety. The phenyl-sulfonyl group forms intra-molecular C-H⋯O bonds between sulfone O atoms and the carbazole moiety, resulting in two S(6) rings. In the crystal, the nitrated benzene rings are linked via C-H⋯O inter-actions forming infinite C(7) chains along [100]. The crystal packing is also characterized by C-H⋯π inter-actions, which result in inversion dimers.

| S-EPMC3998368 | biostudies-literature

11-Butyl-3-meth-oxy-11H-benzo[a]carbazole.

Project description:The title compound, C(21)H(21)NO, consists of a carbazole skeleton with a meth-oxy-benzene ring fused to the carbazole, and a butyl group attached to the carbazole N atom. The carbazole skeleton is nearly planar [maximum deviation = 0.078 (2) Å], and it is oriented at a dihedral angle of 4.22 (4)° with respect to the adjacent meth-oxy-benzene ring.

| S-EPMC3007054 | biostudies-literature

(Z)-3-(2-Meth-oxy-benz-yl)-1,5-benzo-thia-zepin-4(5H)-one.

Project description:In the title compound, C(17)H(15)NO(2)S, the seven-membered thia-zepine ring adopts a distorted twist-boat conformation. The dihedral angle between the mean planes of the benzothia-zepin ring system and the attached benzene ring is 47.7 (1)°. In the crystal, pairs of N-H⋯O hydrogen bonds link inversion-related mol-ecules into dimers, generating R(2) (2)(8) ring motifs. These dimers are further connected into a chain along the a axis by C-H⋯O hydrogen bonds, resulting in R(2) (2)(14) ring motifs. The crystal packing also features C-H⋯π inter-actions.

| S-EPMC3393937 | biostudies-literature

Ethyl 2-(bromo-meth-yl)-5-meth-oxy-1-phenyl-sulfonyl-1H-indole-3-carboxyl-ate.

Project description:In the title compound, C(19)H(18)BrNO(5)S, the plane of the phenyl ring forms a dihedral angle of 76.99 (6)° with the indole ring system. The Br atom is disordered over two positions, with site-occupancy factors of 0.833 (14) and 0.167 (14). The mol-ecular structure is stabilized by weak intra-molecular C-H⋯O inter-actions and the crystal packing is stabilized by weak inter-molecular C-H⋯O inter-actions.

| S-EPMC2960959 | 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