Browse
Submit Data
Databases
API
Help

Dataset Information

14 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

1,2-Dihydro-9H-carbazole-4(3H)-thione.

ABSTRACT: The crystal structure of the title compound, C(12)H(11)NS, features parallel chains of alternating N-H⋯S hydrogen-bonded mirror-image conformers along [10[Formula: see text]]. The mol-ecular conformation is that of an envelope, with all of the framework atoms except one close to a mean plane (rms deviation 0.054 Å); one C atom of the cyclo-hexene-thione ring forms the envelope flap, which makes a dihedral angle of 48.6 (1)° with the rest of the mol-ecule. There is a π-π* inter-action between pairs of enanti-omers in adjacent chains; the distance between parallel planes is 3.466 (1) Å.

SUBMITTER: Phelan WA

PROVIDER: S-EPMC3099987 | biostudies-literature |

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Similar Datasets

(Z)-9-(1,2-Dichloro-vin-yl)-9H-carbazole.

Project description:There are two independent mol-ecules in the asymmetric unit of the title compound, C14H9Cl2N, in which the dihedral angles between the dichloro-vinyl unit (r.m.s. deviations = 0.0003 and 0.0009?Å), and the carbazole ring are 87.77?(3) and 72.90?(3)°.

| S-EPMC3629607 | biostudies-literature

9-Ethyl-3-(imidazo[1,2-a]pyrimidin-3-yl)-9H-carbazole.

Project description:The title compound, C(20)H(16)N(4), is a precursor for the production of electron-transporting and -emitting materials. The bond lengths and angles in this compound are normal. In the crystal structure, there are no significant hydrogen-bonding inter-actions or π-π stacking inter-actions between mol-ecules.

| S-EPMC2959935 | biostudies-literature

trans-Di-?-iodido-bis-[(3H-1,2-benzodithiole-3-thione)iodidomercury(II)].

Project description:The complete molecule of the dinuclear title compound, [Hg(2)I(4)(C(7)H(4)S(3))(2)], is generated by crystallographic inversion symmetry. The complex has a dimeric structure in which each Hg(II) ion adopts a tetra-hedral geometry and is coordinated by two bridging I atoms, one terminal iodide ion and one thio-carbonyl S atom (C=S) of the ligand. The square plane formed by the Hg and I atoms and their symmetry counterparts makes a dihedral angle of 89.66?(3)° with the DDT plane. There is no classical hydrogen bonding, but weak S?S inter-actions of 3.4452?(7) and 3.6859?(7)?Å maintain the cohesion of the crystal structure.

| S-EPMC2970135 | biostudies-literature

2-Methyl-2-phenyl-1,2-dihydro-quinazolin-4(3H)-one.

Project description:In the mol-ecule of the title compound, C(15)H(14)N(2)O, the six-membered 1,3-diaza ring assumes an envelope conformation. The two benzene ring planes are almost perpendicular to each other, making a dihedral angle of 85.53?(5)°. Supra-molecular aggregation is mainly effected by N-H?O hydrogen bonding.

| S-EPMC2960295 | biostudies-literature

3,6-Diiodo-9H-carbazole.

Project description:In the title compound, C(12)H(7)I(2)N, the tricyclic aromatic ring system is essentially planar, with an r.m.s. deviation of 0.0272?Å. The two I atoms are marginally out of plane, with the C-I bonds angled at 3.9?(2) and 1.1?(2)° with respect to the planes of their respective benzene rings, above and below the plane of the carbazole ring system. No classical hydrogen bonds are observed in the crystal structure.

| S-EPMC3344172 | biostudies-literature

9-Benzyl-9H-carbazole.

Project description:The asymmetric unit of the title compound, C(19)H(15)N, contains two crystallographically independent mol-ecules. In both mol-ecules, the planar carbazole moieties [maximum deviations = 0.037?(4) and 0.042?(3)?Å] are oriented with respect to the adjacent benzene rings, at dihedral angles of 85.29?(8) and 89.89?(7)°, respectively. In the crystal structure, weak C-H?? inter-actions are observed involving the carbazole rings.

| S-EPMC2979278 | 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

[1,2-Bis-(diisopropyl-phosphan-yl)ethane-?P,P']dichloridonickel(II)-9H-carbazole (1/2).

Project description:In the title compound, [NiCl(2)(C(14)H(32)P(2))]·2C(12)H(9)N, the neutral [Ni(dppe)Cl(2)] complex [dppe is 1,2-bis-(diisopropyl-phosphan-yl)ethane] consists of a tetracoordinated Ni(2+) cation and has a crystallographic twofold axis passing through the metal atom and the mid-point of the CH(2)-CH(2) bond of the dppe ligand. The metal atom shows slight tetra-hedral distortion from an ideal square-planar coordination geometry, as reflected in the dihedral angle between NiCl(2) and NiP(2) planes of 15.32?(2)°. The 9H-carbazole ring system is essentially planar (r.m.s. deviation = 0.022?Å). In the crystal packing, there are two symmetry-related 9H-carbazole mol-ecules between two adjacent Ni(II) complexes, with an angle between the carbazole mean planes of ca 77°.

| S-EPMC3100014 | biostudies-literature

3a,11b-Dihy-droxy-3a,11b-dihydro-1H-imidazo[4,5-f][1,10]phenanthroline-2(3H)-thione.

Project description:The title compound, C(13)H(10)N(4)O(2)S, was prepared through a cyclization reaction of 1,10-phenanthroline-5,6-dione and thio-urea. The dihedral angle between the pyridine rings is 8.22?(2)°. In the crystal, mol-ecules are connected by N-H?O, O-H?N, N-H?S and O-H?S hydrogen bonds, forming a three-dimensional network.

| S-EPMC3254542 | biostudies-literature

9-Ethynyl-9H-carbazole.

Project description:The title compound, C(14)H(9)N, is the second crystallographically characterized example of an ynamine with an H atom in the C-terminal position. There are two independent mol-ecules (A and B) in the asymmetric unit. The structures of both mol-ecules are essentially planar (r.m.s. deviation = 0.0312 and 0.0152?Å). The N-C(sp) bond lengths are 1.353?(4) and 1.350?(4)?Å, and those of the acetyl-ene bonds are 1.189?(4) and 1.190?(4)?Å. The C(sp)-H bond lengths are 0.95?(5) and 0.97?(4)?Å. These geometries are consistent with those of the previously reported ynamine characterized by crystallography. In the crystal, the mol-ecules stack along the c axis, forming two kinds of columnar structures. The acetyl-ene C atoms of mol-ecule A have a short contact [3.341?(4)?Å and 3.396?(4)?Å] with an adjacent mol-ecule A at the C-C bond of the fused part, which originates in ?-? stacking inter-action; no remarkable spatial contact is recognized within the stacking of mol-ecule B.

| S-EPMC3297888 | biostudies-other

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