2,2´-Dimethyl-2,2´-(m-phenylenedimethylene)propanedinitrile

  • 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.

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Metadaten
Author:Junmei Zhao, Volker Böhmer, Michael BolteORCiD
URN:urn:nbn:de:hebis:30-69623
DOI:https://doi.org/10.1107/S1600536809023344
Parent Title (English):Acta crystallographica / Section E, Structure reports online
Document Type:Article
Language:English
Year of Completion:2009
Year of first Publication:2009
Publishing Institution:Universitätsbibliothek Johann Christian Senckenberg
Release Date:2009/09/10
Volume:65
Issue:o1658
Note:
This is an open-access article distributed under the terms of the Creative Commons Attribution Licence http://creativecommons.org/licenses/by/2.0/uk/legalcode, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited.
Source:Acta Crystallographica Section E, Structure Reports Online, 2009, E65, o1658 ; doi:10.1107/S1600536809023344
HeBIS-PPN:217714978
Institutes:Biochemie, Chemie und Pharmazie / Biochemie und Chemie
Dewey Decimal Classification:5 Naturwissenschaften und Mathematik / 54 Chemie / 540 Chemie und zugeordnete Wissenschaften
Licence (German):License LogoCreative Commons - Namensnennung 2.0

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