Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

(E)-2-(1,3-Diphenyl-allyl-idene)malononitrile.

ABSTRACT: The title compound, C(18)H(12)N(2), adopts an E conformation with the benzyl-idenemalononitrile and phenyl groups located on opposite sides of the C=C bond. The two phenyl rings are oriented at a dihedral angle of 62.49?(7)°.

SUBMITTER: Kang TR

PROVIDER: S-EPMC2972044 | biostudies-literature | 2009

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

(E)-2-(1,3-Diphenyl-allyl-idene)malononitrile.

Kang Tai-Ran TR Chen Lian-Mei LM

Acta crystallographica. Section E, Structure reports online 20091121 Pt 12

The title compound, C(18)H(12)N(2), adopts an E conformation with the benzyl-idenemalononitrile and phenyl groups located on opposite sides of the C=C bond. The two phenyl rings are oriented at a dihedral angle of 62.49 (7)°. ...[more]

PMID: 21578880

Similar Datasets

2-(1,3-Dibenzyl-imidazolidin-2-yl-idene)malononitrile.

Project description:In the title mol-ecule, C(20)H(18)N(4), the imidazolidine ring makes dihedral angles of 86.74?(2) and 81.18?(3)° with the two phenyl rings. In the absence of classical inter-molecular inter-actions, the crystal packing is stabilized by van der Waals forces.

| S-EPMC2961440 | biostudies-literature

2-[(6-Nitro-1,3-benzodioxol-5-yl)methyl-idene]malononitrile.

Project description:In the title compound, C(11)H(5)N(3)O(4), the nitro group is rotated by 29.91 (16)° out of the plane of the adjacent aryl ring. The 1,3-benzodioxole ring is nearly planar, with a maximium deviation of 0.0562 (10) Å. The dioxolene ring adopts an envelope conformation on the O-C-O C atom. In the crystal, mol-ecules are linked via C-H⋯O inter-actions, resulting in R(2) (2)(6) and R(2) (2)(12) graph-set motifs.

| S-EPMC3239096 | biostudies-literature

(E)-N-(3,3-Diphenyl-allyl-idene)-4-nitro-aniline.

Project description:In the title compound, C(21)H(16)N(2)O(2), the dihedral angles between the mean planes of the 4-nitro-phenyl ring and the two phenyl rings are 57.3?(5) and 16.8?(6)°. The imine group displays a C-C-N-C torsion angle of -24.9?(3)°.

| S-EPMC3470385 | biostudies-literature

(E)-N-(3,3-Diphenyl-allyl-idene)-3-nitro-aniline.

Project description:In the title compound, C(21)H(16)N(2)O(2), the 3-nitro-phenyl and two phenyl rings are twisted from the mean plane of the enimino fragment by 44.4?(1), 37.2?(1) and 74.1?(1)°, respectively. The crystal packing exhibits no classical inter-molecular contacts.

| S-EPMC3470384 | biostudies-literature

(E)-N'-(3,3-Diphenyl-allyl-idene)-p-toluene-sulfonohydrazide.

Project description:In the title compound, C(22)H(20)N(2)O(2)S, the mol-ecule adopts a twisted E configuration around the C=N bond. The two phenyl rings are twisted from each other, making a dihedral angle of 78.00 (12)°. The methyl-substituted benzene ring makes dihedral angles of 32.37 (14) and 69.70 (12)° with the two phenyl rings. In the crystal structure, mol-ecules are linked into extended chains along the b axis through inter-molecular N-H⋯O hydrogen bonds.

| S-EPMC2977737 | biostudies-literature

2-[3-(2-Chloro-phen-yl)-5-oxo-1,5-diphenyl-pentyl-idene]malononitrile.

Project description:In the title compound, C(26)H(19)ClN(2)O, the 2-chloro-phenyl group forms dihedral angles of 59.6?(1) and 31.9?(1)° with the phenyl rings. The two phenyl rings are inclined at a dihedral angle of 32.9?(1)° with respect to each other. In the crystal, an inter-molecular C-H?N hydrogen bond links the mol-ecules into a polymeric chain running along the c axis.

| S-EPMC3050168 | biostudies-literature

2-(4-Oxo-3-phenyl-1,3-thia-zolidin-2-yl-idene)malononitrile.

Project description:In the title compound, C12H7N3OS, the essentially planar thia-zole ring (r.m.s. deviation = 0.022?Å) forms dihedral angles of 84.88?(9) and 1.8?(3)° with the phenyl ring and the -C(CN)2 group (r.m.s. deviation = 0.003?Å), respectively. The mol-ecule has approximate local Cs symmetry. In the crystal, molecules are linked via C-H?N hydrogen bonds, forming chains propagating along [101]. The crystal studied was found to be an inversion twin with a refined 0.63?(1):0.37?(1) domain ratio.

| S-EPMC3588553 | biostudies-literature

N-[(E,Z)-1,3-Diphenyl-prop-2-enyl-idene]-N'-(1,3-dithio-lan-2-yl-idene)hydrazine.

Project description:Mol-ecules of the title compound, C(18)H(16)N(2)S(2), exist as the (2E, 1'Z)-isomer. The 1,3-dithiol-ane ring has an envelope conformation; the atoms of the C-C bond are disordered over two positions with occupancies of 0.47 (7) and 0.53 (7). The structure exhibits inter-molecular C-H⋯S and C-H⋯π(arene) hydrogen bonds.

| S-EPMC2961686 | biostudies-literature

2-[2-(4-Acetyl-phen-yl)hydrazinyl-idene]-1,3-diphenyl-propane-1,3-dione.

Project description:In the title compound, C(23)H(18)N(2)O(3), the inter-planar angle between the benzoyl units is 80.51?(6)° while the dihedral angles between the hydrazinyl-idene and benzoyl groups are 43.43?(6) and 54.16?(6)°. In the crystal, a strong resonance-assisted intra-molecular N-H?O hydrogen bond is observed. The mol-ecules form an inversion dimer via a pair of weak C-H?O hydrogen bonds and a ?-? inter-action [centroid-centroid distance of 3.5719?(10)?Å]. These dimers are linked via weak C-H?O contacts, forming chains along the b axis.

| S-EPMC3213496 | biostudies-literature

2-[2-(3-Chloro-phen-yl)hydrazinyl-idene]-1,3-diphenyl-propane-1,3-dione.

Project description:The mol-ecular structure of the title compound, C(21)H(15)ClN(2)O(2), features one strong intra-molecular N-H?O resonance-assisted hydrogen bond (RAHB). In the crystal, mol-ecules form inversion-related dimers via pairs of weak inter-molecular N-H?O contacts. These dimers are further stabilized via three weak C-H?O contacts, developing the three-dimensional structure.

| S-EPMC3120543 | 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