Browse
Submit Data
Databases
API
Help

Dataset Information

29 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

2-(6-Chloro-2,3,4,9-tetra-hydro-1H-carbazol-1-yl-idene)propane-dinitrile.

ABSTRACT: The mol-ecular conformation of the title compound, C(15)H(10)ClN(3), is stabilized by an intra-molecular N-H⋯N hydrogen bond with an S(7) ring motif. The crystal packing is controlled by N-H⋯N and C-H⋯N inter-molecular inter-actions. One of the methyl-ene groups of the cyclo-hexene ring is disordered over two positions with refined occupancies of 0.457 (12) and 0.543 (12).

SUBMITTER: Sekar M

PROVIDER: S-EPMC3238926 | biostudies-literature |

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Similar Datasets

2-(6-Methyl-2,3,4,9-tetra-hydro-1H-carbazol-1-yl-idene)propane-dinitrile.

Project description:In the title compound, C(16)H(13)N(3), the cyclo-hexene ring adopts a sofa conformation. An intra-molecular N-H⋯N hydrogen bond generates an S(7) ring motif. In the crystal, the mol-ecules are linked by pairs of N-H⋯N inter-actions, forming centrosymmetric dimers with an R(2) (2)(14) motif.

| S-EPMC3238928 | biostudies-literature

2-(2,3,4,9-Tetra-hydro-1H-carbazol-1-ylidene)propane-dinitrile.

Project description:In the title mol-ecule, C(15)H(11)N(3), the dihedral angle between the benzene ring and the fused pyrrole ring is 1.07?(5)°. The cyclo-hexene ring adopts an envelope conformation: the dicyano-methyl-ene group at position 1 has a coplanar orientation. An intra-molecular N-H?N hydrogen bond generates an S(7) ring motif. Inter-molecular N-H?N hydrogen bonds form an R(2) (2)(14) ring in the crystal. A C-H?? inter-action involving the benzene ring is also found in the structure.

| S-EPMC3006716 | biostudies-literature

2-(1,2,3,4-Tetra-hydro-9H-carbazol-1-yl-idene)propane-dinitrile.

Project description:In the title compound, C(15)H(11)N(3), the cyclo-hexene ring adopts a sofa conformation. An intra-molecular N-H?N hydrogen bond generates an S(7) ring motif. In the crystal, mol-ecules are linked by inter-molecular N-H?N, C-H?N and C-H?? inter-actions into a three-dimensional network.

| S-EPMC3009027 | biostudies-literature

(E)-6-Chloro-2-(furan-2-yl-methyl-idene)-2,3,4,9-tetra-hydro-1H-carbazol-1-one.

Project description:In the title compound, C(17)H(12)ClNO(2), the carbazole unit is nearly planar [maximum deviation = 0.052?(1)?Å]. The pyrrole ring makes dihedral angles of 1.92?(8) and 4.71?(11)° with the benzene and furan rings, respectively. Inter-molecular N-H?O hydrogen bonds form R(2) (2)(10) rings in the crystal structure.

| S-EPMC3011405 | biostudies-literature

(E)-2-[(Furan-2-yl)methyl-idene]-7-methyl-2,3,4,9-tetra-hydro-1H-carbazol-1-one.

Project description:In the title mol-ecule, C(18)H(15)NO(2), the atoms in the carbazole unit deviate from planarity [maximum deviation from mean plane = 0.1317?(12)?Å]. The pyrrole ring makes dihedral angles of 1.01?(8) and 18.56?(10)° with the benzene and furan rings, respectively. The cyclo-hexene ring adopts a half-chair conformation. In the crystal, pairs of N-H?O hydrogen bonds form an R(2) (2)(10) ring. Mol-ecules are further linked by C-H?O and C-H?? inter-actions, forming a three-dimensional network.

| S-EPMC3569219 | biostudies-literature

(E)-2-(Furan-2-yl-methyl-idene)-8-methyl-2,3,4,9-tetra-hydro-1H-carbazol-1-one.

Project description:In the title mol-ecule, C(18)H(15)NO(2), the carbazole unit is not planar [maximum deviation from mean plane = 0.236?(2)?Å]. The pyrrole ring makes dihedral angles of 1.21?(10) and 16.74?(12)° with the benzene and the furan rings, respectively. The cyclo-hexene ring adopts a half-chair conformation. In the crystal, inversion dimers linked by pairs of N-H?O hydrogen bonds generate R(2) (2)(10) loops.

| S-EPMC3011638 | biostudies-literature

Crystal structure of (E)-2-(furan-2-yl-methyl-idene)-2,3,4,9-tetra-hydro-1H-carbazol-1-one.

Project description:The title compound, C17H13NO2, crystallizes with two conformationally very similar independent mol-ecules (A and B) in the asymmetric unit. In the crystal, the individual mol-ecules are linked by pairs of N-H⋯O hydrogen bonds forming A-A and B-B inversion dimers, with R22(10) rings. They stack alternately up the a-axis direction and are linked by C-H⋯π inter-actions, forming sheets parallel to the ab plane.

| S-EPMC5778486 | biostudies-literature

6-Bromo-2-[(E)-thio-phen-2-yl-methyl-idene]-2,3,4,9-tetra-hydro-1H-carbazol-1-one.

Project description:In the title compound, C(17)H(12)BrNOS, the cyclo-hexene ring deviates only slightly from planarity (r.m.s. deviation for non-H atoms = 0.047 Å). In the crystal, the mol-ecules are linked into centro-symmetric R(2) (2)(10) dimers via pairs of N-H⋯O hydrogen bonds. The thio-phene ring is disordered over two positions rotated by 180° and with a site-occupation factor of 0.843 (4) for the major occupied site.

| S-EPMC3238929 | biostudies-literature

6-Bromo-2-(3-phenyl-allyl-idene)-2,3,4,9-tetra-hydro-1H-carbazol-1-one.

Project description:Mol-ecules of the title compound, C(21)H(16)BrNO, are linked through pairs of N-H⋯O inter-molecular hydrogen bonds into centrosymmetric R(2) (2)(10) dimers. One of the C atoms of the cyclohex-2-enone ring is disordered with refined occupancies of 0.61 (2) and 0.39 (2).

| S-EPMC3238927 | biostudies-literature

8-Methyl-2,3,4,9-tetra-hydro-1H-carbazol-1-one.

Project description:In the title compound, C(13)H(13)NO, the dihedral angle between the benzene ring and the fused pyrrole ring is 0.96 (7)°. The cyclohexenone ring adopts an envelope conformation. Inter-molecular N-H⋯O hydrogen bonds form R(2) (2)(10) ring motifs in the crystal structure. Weak C-H⋯π inter-actions involving the benzene ring also occur.

| S-EPMC3007954 | 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