6533b7d3fe1ef96bd12609f0
RESEARCH PRODUCT
2,2′-Dimethyl-2,2′-(m-phenylenedimethylene)propanedinitrile
Volker BöhmerMichael BolteJunmei Zhaosubject
chemistry.chemical_compoundchemistryPropaneddc:540General Materials ScienceGeneral ChemistryCrystal structureRing planeCondensed Matter PhysicsBioinformaticsMedicinal chemistryOrganic PapersEne reactiondescription
The title compound, C16H14N4, features an aromatic ring with two 2,2´-dicyanopropyl residues in positions 1 and 3, which are located above and below the ring plane. The two residues differ in their conformation with respect to the aromatic ring: whereas one of the Cmethyl-C-Cmethylene-Caromatic torsion angles is gauche [68.93 (12)°], the other one is fully staggered [177.63 (9)°]. The crystal structure is stabilized by C-H...N hydrogen-bonding interactions. Key indicators: single-crystal X-ray study; T = 173 K; mean σ(C–C) = 0.002 Å; R factor = 0.037; wR factor = 0.101; data-to-parameter ratio = 15.0.
| year | journal | country | edition | language |
|---|---|---|---|---|
| 2009-06-01 | Acta Crystallographica Section E: Structure Reports Online |