Browse
Submit Data
Databases
API
Help

Dataset Information

25 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

Crystal structure of 9-butyl-3-(9-butyl-9H-carbazol-3-yl)-9H-carbazole.

ABSTRACT: In the title carbazole derivative, C32H32N2, the mol-ecule resides on a crystallographic twofold axis, which runs through the central C-C bond. The carbazole ring system is almost planar, with a maximum deviation of 0.041?(1)?Å for one of the ring-junction C atoms. The crystal packing is stabilized by C-H?? inter-actions only, which form a C(7) chain-like arrangement along [110] in the unit cell.

SUBMITTER: Stalindurai K

PROVIDER: S-EPMC4257394 | biostudies-literature | 2014 Dec

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

Crystal structure of 9-butyl-3-(9-butyl-9H-carbazol-3-yl)-9H-carbazole.

Stalindurai K K Ramalingan C C Sridhar B B Selvanayagam S S

Acta crystallographica. Section E, Structure reports online 20141121 Pt 12

In the title carbazole derivative, C32H32N2, the mol-ecule resides on a crystallographic twofold axis, which runs through the central C-C bond. The carbazole ring system is almost planar, with a maximum deviation of 0.041 (1) Å for one of the ring-junction C atoms. The crystal packing is stabilized by C-H⋯π inter-actions only, which form a C(7) chain-like arrangement along [110] in the unit cell. ...[more]

PMID: 25553048

Similar Datasets

Crystal structure of 4-bromo-N-[(3,6-di-tert-butyl-9H-carbazol-1-yl)methyl-idene]aniline.

Project description:In the title compound, C27H29BrN2, the carbazole ring system is essentially planar, with an r.m.s. deviation of 0.0781?(16)?Å. An intra-molecular N-H?N hydrogen bond forms an S(6) ring motif. One of the tert-butyl substituents shows rotational disorder over two sites with occupancies of 0.592?(3) and 0.408?(3). In the crystal, two mol-ecules are associated into an inversion dimer through a pair of C-H?? inter-actions. The dimers are further linked by another pair of C-H?? inter-actions, forming a ribbon along the c-axis direction. A C-H?? inter-action involving the minor disordered component and the carbazole ring system links the ribbons, generating a network sheet parallel to (100).

| S-EPMC6775744 | biostudies-literature

9-Butyl-9H-carbazole.

Project description:The title compound, C(16)H(17)N, is a carbazole derivative that has been designed and synthesized as a potential organic electronic device, such as an OLED. The tricyclic aromatic ring system is essentially planar, the two outer rings making a dihedral angle of 4.8?(1)°. No classical hydrogen bonds are observed in the crystal structure.

| S-EPMC2968689 | biostudies-literature

3,6-Dibromo-9-(4-tert-butyl-benz-yl)-9H-carbazole.

Project description:In the title compound, C(23)H(21)Br(2)N, which was synthesized by the N-alkyl-ation of 1-tert-butyl-4-(chloro-meth-yl)benzene with 3,6-dibromo-9H-carbazole, the asymmetric unit contains two unique mol-ecules. Each carbazole ring system is essentially planar, with mean deviations of 0.0077 and 0.0089?Å for the two mol-ecules. The carbazole planes make dihedral angles of 78.9?(2) and 81.8?(2)° with the planes of the respective benzene rings.

| S-EPMC2962237 | biostudies-literature

3,6-Di-tert-butyl-9-(quinolin-6-yl)-9H-carbazole.

Project description:In the title compound, C(29)H(30)N(2), the dihedral angle between the mean planes of the carbazole and the quinoline systems is 52.41?(6)°. Mol-ecules are linked into dimers by pairs of inter-molecular C-H?N hydrogen bonds and into a three-dimensional network by C-H?? inter-actions.

| S-EPMC3435640 | biostudies-literature

9-(4-Bromo-phen-yl)-3,6-di-tert-butyl-9H-carbazole.

Project description:The asymmetric unit of the title compound, C(26)H(28)BrN, contains two independent mol-ecules in which the carbazole rings are almost planar, with r.m.s. deviations of 0.0212 (1) and 0.0229 (1) Å. The dihedral angles between the carbazole ring system and the pendent benzene ring are 60.5 (1) and 56.3 (1)° in the two mol-ecules. In the crystal, mol-ecules are linked into chains along the b axis by C-H⋯π inter-actions.

| S-EPMC3238959 | biostudies-literature

Crystal structure of 9-butyl-6-[2-(pyridin-4-yl)ethen-yl]carbazol-3-amine.

Project description:The asymmetric unit of the title compound, C23H23N3, consists of two mol-ecules, A and B, with different conformations. In mol-ecule A, the dihedral angle between the carbazole ring system (r.m.s. deviation = 0.028 Å) and the pyridine ring is 20.28 (9)° and the N-C-C-C torsion angle of the butyl side chain is -63.4 (3)°. The equivalent data for mol-ecule B are 0.065 Å, 48.28 (11)° and 61.0 (3)°, respectively. In the crystal, the components are connected by weak N-H⋯N hydrogen bonds, generating [030] C(14) chains of alternating A and B mol-ecules.

| S-EPMC4420045 | biostudies-literature

Crystal structure of poly[[[μ4-5-(9H-carbazol-9-yl)isophthalato][μ3-5-(9H-carbazol-9-yl)isophthalato]bis-(di-methyl-formamide)(methanol)dizinc] di-methyl-formamide monosolvate].

Project description:The structure of the polymeric title compound, {[Zn2(C20H11NO4)2(C3H7NO)2(CH3OH)]·C3H7NO} n , comprises carbazolylisophthalate moieties connecting dimetallic tetra-carboxyl-ate zinc secondary building units (SBUs) parallel to [100] and [010], leading to a layer-like arrangement parallel to (001). Each SBU consists of two Zn atoms in slightly distorted tetra-hedral and octa-hedral coordination environments [Zn⋯Zn = 3.5953 (6) Å]. Three carboxyl-ate groups bridge the two Zn atoms in a μ2-O:O' mode, whereas the fourth coordinates through a single carboxyl-ate O atom (μ1-O). The O atoms of two di-methyl-formamide (DMF) and one methanol mol-ecule complete the Zn coordination spheres. The methanol ligand inter-acts with the noncoordinating DMF mol-ecule via an O-H⋯O hydrogen bond of medium strength. Carbazoles between the layers inter-digitate through weak C-H⋯.π inter-actions to form a laminar solid stacked along [010]. Two kinds of C-H⋯π inter-actions are present, both with a distance of 2.64 Å, between the H atoms and the centroids, and a third C-H⋯π inter-action, where the aromatic H atom is located above the carbazole N-atom lone pair (H⋯N = 2.89 Å). Several C-H⋯O inter-actions occur between the coordinating DMF mol-ecule, the DMF solvent mol-ecule, and ligating carboxyl-ate O atoms.

| S-EPMC4571380 | biostudies-literature

Crystal structure of (E)-1,2-bis-(6-bromo-9-hexyl-9H-carbazol-3-yl)ethene.

Project description:The title compound, C38H40Br2N2, crystallizes in the triclinic space group P-1 with two mol-ecules in a unit cell. The two carbazole groups are nearly coplanar, making a dihedral angle of 16.90?(5)°, and are bridged by vinyl. The crystal structure features ?-? and C-H?? inter-actions and C-H?Br short contacts.

| S-EPMC5947798 | biostudies-literature

2,3,6,7-Tetra-bromo-9-butyl-9H-carbazole.

Project description:In he title compound, C(16)H(13)Br(4)N, the carbazole skeleton is nearly planar [maximum deviation = 0.026?(4)?Å] and makes a dihedral angle of 73.8?(4)° with the butyl chain. The butyl chain adopts a trans conformation. In the crystal, mol-ecules are linked by ?-? stacking inter-actions [centroid-centroid distance = 3.559?(2)?Å].

| S-EPMC3344475 | biostudies-literature

N-(7-Bromo-9-butyl-9H-carbazol-2-yl)-9,9-diethyl-N,N,N-triphenyl-9H-fluorene-2,7-diamine.

Project description:In the title mol-ecule, C(51)H(46)BrN(3), the central fluorene residue is planar (r.m.s. deviation = 0.0203 Å), as is the carbazole system (r.m.s. deviation = 0.0154 Å), and these groups are almost orthogonal [dihedral angle = 79.72 (3)°]. The three-dimensional architecture is consolidated by C-H⋯π inter-actions. The butyl substituent is disordered with two sites resolved for the terminal propyl atoms; the major component had a site-occupancy factor of 0.686 (3).

| S-EPMC3297913 | 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