Browse
Submit Data
Databases
API
Help

Dataset Information

28 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

2-(2-Methyl-6-phenyl-1-propyl-1,4-dihydro-pyridin-4-yl-idene)propane-dinitrile.

ABSTRACT: In the title compound, C(18)H(17)N(3), the dihedral angle between the dihydropyridine and phenyl rings is 72.57?(5)° and that between the dihydropyridine ring and malononitrile plane is 5.19?(20)°. The C-C bond lengths in the pyridine ring are considerably shorter than those of normal single bonds, indicating that electrons on the dihydropyridine ring, including the non-bonding electrons of the N atom, are delocalized on the ring.

SUBMITTER: Kim YH

PROVIDER: S-EPMC3052154 | biostudies-literature | 2011 Feb

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

2-(2-Methyl-6-phenyl-1-propyl-1,4-dihydro-pyridin-4-yl-idene)propane-dinitrile.

Kim Young Hyun YH Kim Hyung Jin HJ Otgonbaatar Enkhzul E Kwak Chee-Hun CH

Acta crystallographica. Section E, Structure reports online 20110219 Pt 3

In the title compound, C(18)H(17)N(3), the dihedral angle between the dihydropyridine and phenyl rings is 72.57 (5)° and that between the dihydropyridine ring and malononitrile plane is 5.19 (20)°. The C-C bond lengths in the pyridine ring are considerably shorter than those of normal single bonds, indicating that electrons on the dihydropyridine ring, including the non-bonding electrons of the N atom, are delocalized on the ring. ...[more]

PMID: 21522419

Similar Datasets

2-[(1-Methyl-1H-pyrrol-2-yl)methyl-idene]propane-dinitrile.

Project description:In the title compound, C(9)H(7)N(3), the N-bound methyl group and vinyl H atom are syn. The 12 non-H atoms comprising the mol-ecule are essentially coplanar (r.m.s. deviation = 0.071?Å). Supra-molecular tapes feature in the crystal packing, orientated perpendicular to [10-1], and are formed by C-H?N inter-actions involving each cyano N atom. The tapes are connected into layers via ?-? inter-actions occurring between translationally related pyrrole rings [ring centroid-centroid distance = 3.8754?(10)?Å]; the layers stack along the b axis.

| S-EPMC3344110 | biostudies-literature

2-(1-Propyl-2,6-distyryl-1,4-dihydro-pyridin-4-yl-idene)malononitrile.

Project description:In the title compound, C(27)H(23)N(3), the dihedral angles between the central pyridine ring and the two outer benzene rings are 32.6?(1) and 52.0?(1)°. The compound displays inter-molecular ?-? inter-actions between adjacent six-membered rings, the shortest centroid-centroid distance being 3.981?(3)?Å.

| S-EPMC2971777 | biostudies-other

2-[(Dimethyl-amino)-methyl-idene]propane-dinitrile.

Project description:In the title moleclue, C6H7N3, the mean plane of the dimethyl-amino group [maximum deviation = 0.006?(2)?Å] forms a dihedral angle of 7.95?(18)° with the mean plane of the propane-dinitrile fragment [maximum deviation = 0.008?(2)?Å]. In the crystal, weak C-H?N hydrogen bonds link the mol-ecules into a three-dimensional network.

| S-EPMC3588480 | biostudies-literature

2-{5,5-Dimethyl-3-[2-(pyridin-2-yl)ethen-yl]cyclo-hex-2-enyl-idene}propane-dinitrile.

Project description:The mol-ecule of the title compound, C(18)H(17)N(3), with the exception of the -C(CH(3))(2) group, is nearly planar [maximum deviation: 0.208 (4), r.m.s. deviation 0.099 (6) Å] and the disubstituted C atom is displaced by 0.679 (2) Å from the mean plane through the remaining non-H atoms. In the crystal, the packing is stabilized by weak C-H⋯π inter-actions.

| S-EPMC3051543 | biostudies-literature

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

(E,E)-2-[3,4-Bis(4-methyl-benzyl-idene)-5-oxotetra-hydro-furan-2-yl-idene]propane-dinitrile.

Project description:In the title mol-ecule, C(23)H(16)N(2)O(2), the two exocyclic C=C bonds bearing the tolyl groups have an E configuration and the beznene rings are oriented at 22.1 (1) and 24.8 (1)° with respect to the mean plane of the atoms of the furan ring.

| S-EPMC2968988 | biostudies-literature

(E)-2-{2-tert-Butyl-6-[2-(4-hy-droxy-phen-yl)ethen-yl]-1-propyl-1,4-dihydro-pyridin-4-yl-idene}indane-1,3-dione.

Project description:The title compound, C(29)H(29)NO(3), the nearly planar nine-membered indanedione ring [maximum deviation = 0.027?(2)?Å] is located approximately parallel to its carrier pyridine ring [maximum deviation = 0.021?(2)?Å] with a dihedral angle of 1.8?(1)° between the planes. However, because of steric hindrance, the benzene ring [maximum deviation = 0.006?(2)?Å] is not parallel to the pyridine ring [dihedral angle = 37.29?(8)°]. The mol-ecules display numerous inter-molecular ?-? inter-actions between the five- and six-membered rings, the shortest centroid-centroid distance being 3.796?(2)?Å. There are inter- and intra-molecular O-H?O and C-H?O hydrogen bonds.

| S-EPMC3050276 | 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

(Pyridin-4-yl)methyl N'-(3-phenyl-allyl-idene)hydrazinecarbodithio-ate.

Project description:In the title compound, C(16)H(15)N(3)S(2), the central C(2)N(2)S(2) residue is planar (r.m.s. deviation = 0.045 Å) and the pyridyl and benzene rings are inclined and approximately coplanar to this plane, respectively [dihedral angles = 72.85 (9) and 10.73 (9)°], so that, overall, the mol-ecule adopts an L-shape. The conformation about each of the N=C [1.290 (3) Å] and C=C [1.340 (3) Å] bonds is E. Supra-molecular chains along [1-10] are stabilized by N-H⋯N(pyridine) hydrogen bonding and these are connected into a double layer that stacks along the c-axis direction by C-H⋯π(pyridine) inter-actions.

| S-EPMC3569232 | biostudies-literature

Crystal structure of (pyridin-2-yl-methyl-idene)(tri-phenyl-meth-yl)amine.

Project description:The title Schiff base compound, C25H20N2, crystallizes with two independent mol-ecules (A and B) in the asymmetric unit. In both mol-ecules, the imine group is approximately coplanar with the pyridine ring, with N-C-C-N torsion angles of 170.1?(3) and -172.0?(3)?Å. In the crystal, A and B dimers are linked by pairs of C-H?? inter-actions and further C-H?? bonds link the dimers into a three-dimensional network.

| S-EPMC4257176 | 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