Browse
Submit Data
Databases
API
Help

Dataset Information

8 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

3-(9H-Carbazol-9-yl)propan-1-ol.

ABSTRACT: In the title compound, C(15)H(15)NO, the dihedral angle between the benzene rings is 2.25?(2)°. The C-C-C-O atoms of the propanol side chain are in a gauche conformation [torsion angle = -60.5?(2)°]. In the crystal, O-H?O hydrogen bonds link the mol-ecules into C(2) chains propagating in [100]. The O-bonded H atom is disordered over two sites of equal occupancy.

SUBMITTER: Haridharan N

PROVIDER: S-EPMC3050424 | biostudies-other | 2010

REPOSITORIES: biostudies-other

ACCESS DATA

Json Xml

Publications

3-(9H-Carbazol-9-yl)propan-1-ol.

Haridharan N N Ramkumar V V Dhamodharan R R

Acta crystallographica. Section E, Structure reports online 20101218 Pt 1

In the title compound, C(15)H(15)NO, the dihedral angle between the benzene rings is 2.25 (2)°. The C-C-C-O atoms of the propanol side chain are in a gauche conformation [torsion angle = -60.5 (2)°]. In the crystal, O-H⋯O hydrogen bonds link the mol-ecules into C(2) chains propagating in [100]. The O-bonded H atom is disordered over two sites of equal occupancy. ...[more]

PMID: 21522686

Similar Datasets

3-[2-(9-Ethyl-9H-carbazol-3-yl)-6-methyl-3-quinol-yl]propan-1-ol.

Project description:In the title compound, C(27)H(26)N(2)O, the mean planes through the carbazole and quinoline ring systems form a dihedral angle of 67.23?(5)°. Mol-ecules are linked into cyclic centrosymmetric dimers by O-H?N hydrogen bonds, and C-H?? inter-actions with the pyridine ring of the quinoline ring system as an acceptor. The dimers are linked through C-H?O hydrogen bonds.

| S-EPMC2968056 | biostudies-literature

(9H-Carbazol-9-ylmeth-yl)diethyl-amine.

Project description:The asymmetric unit of the title compound, C(17)H(20)N(2), contains two mol-ecules, whose bond lengths and angles differ only slightly. In the crystal, neighbouring mol-ecules form pillar structures via edge-to-face ?-? stacking inter-actions [edge-to-face distances = 3.538?(3) and 3.496?(3)Å].

| S-EPMC3011667 | biostudies-literature

(4,9-Dimethyl-9H-carbazol-3-yl)meth-anol.

Project description:In the title compound, C15H15NO, the carbazole skeleton includes a methanol group at the 3-position. The indole ring system is almost planar [maximum deviation = 0.045?(2)?Å]. In the crystal, O-H?O hydrogen bonds link the mol-ecules into zigzag chains along the b-axis direction. There are weak C-H?? inter-actions within the chains and linking neighbouring chains forming sheets lying parallel to (001).

| S-EPMC3998416 | biostudies-literature

4-[(9-Ethyl-9H-carbazol-3-yl)imino-meth-yl]phenol.

Project description:In the title compound, C(21)H(18)N(2)O, the dihedral angle between the phenol ring and the carbazole system is 39.34?(2)°. Inter-molecular O-H?N hydrogen bonds and C-H?? and ?-? inter-actions [centroid-centroid distances = 3.426?(2) and 3.768?(2)?Å] stabilize the crystal structure.

| S-EPMC3011571 | biostudies-literature

2-(Biphenyl-4-yl)propan-2-ol.

Project description:The title compound, C(15)H(16)O, crystallizes with two independent mol-ecules in the asymmetric unit. Due to the space-group symmetry, this results in the formation of a tetra-mer where the four mol-ecules are connected by O-H?O hydrogen bonds. The mol-ecules pack parallel to the c axis. Both mol-ecules in the asymmetric unit are nonplanar and the dihedral angles between connected aromatic rings in each mol-ecule are 7.96?(12) and 9.75?(13)°. This contrasts with the gas phase density functional theory (DFT) optimized conformation, where this dihedral angle is 39.33°.

| S-EPMC3297307 | biostudies-literature

N-[2-(9H-Carbazol-9-yl)eth-yl]-4-(methyl-sulfon-yl)aniline.

Project description:In the title mol-ecule, C21H20N2O2S, the dihedral angle between the mean plane of the carbazole ring system [maximum deviation = 0.021?(4)?Å] and the benzene ring is 80.15?(6)°. In the crystal, mol-ecules are linked by N-H?O and weak C-H?O hydrogen bonds into a C(8) chain along [001].

| S-EPMC3998381 | biostudies-literature

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

Project description: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.

| S-EPMC4257394 | biostudies-literature

(E)-3-(9-Hexyl-9H-carbazol-3-yl)acrylic acid.

Project description:In the title compound, C21H23NO2, the hexyl group adopts an extended conformation, the six C atoms are nearly coplanar [maximum deviation = 0.082?(3)?Å] and their mean plane is approximately perpendicular to the carbazole ring system, with a dihedral angle of 78.91?(15)°. In the crystal, mol-ecules are linked by O-H?O hydrogen bonds, forming inversion dimers; ?-? stacking between carbazole ring systems of adjacent dimers further links the dimers into supra-molecular chains propagating along the b-axis direction [centroid-to-centroid distances = 3.868?(2) and 3.929?(2)?Å].

| S-EPMC4158515 | biostudies-literature

2-(2-Benzyl-phen-yl)propan-2-ol.

Project description:There are two mol-ecules in the asymmetric unit of the title compound, C(16)H(18)O, a tertiary alcohol featuring a 2-benzyl-phenyl substituent. Co-operative O-H⋯O hydrogen bonds connect the mol-ecules into tetra-mers.

| S-EPMC3238955 | biostudies-literature

1-[9-Ethyl-6-(2-methyl-benzo-yl)-9H-carbazol-3-yl]ethanone.

Project description:In the title compound, C(24)H(21)NO(2), the pendant benzene ring is inclined at a dihedral angle of 86.66?(18)° with respect to the adjacent aromatic ring of the carbozole unit. In the crystal structure, symmetry-related mol-ecules are linked via C-H?O and C-H?? inter-actions.

| S-EPMC2969787 | 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