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2,2´-(1,3-Diazinane-1,3-diyl)diacetonitrile: a second monoclinic polymorph
- 1.0365917 - FZÚ 2012 RIV DK eng J - Journal Article
Rivera, A. - Maldonado, M. - Ríos-Motta, J. - Fejfarová, Karla - Dušek, Michal
2,2´-(1,3-Diazinane-1,3-diyl)diacetonitrile: a second monoclinic polymorph.
Acta Crystallographica Section E-Structure Reports Online. Roč. 67, Part 10 (2011), o2734/sup6. ISSN 1600-5368. E-ISSN 2056-9890
Grant - others:AV ČR(CZ) AP0701
Program: Akademická prémie - Praemium Academiae
Institutional research plan: CEZ:AV0Z10100521
Keywords : crystal structure * X-ray diffraction
Subject RIV: BM - Solid Matter Physics ; Magnetism
Impact factor: 0.347, year: 2011
A new monoclinic polymorph of the title compound, C8H12N4, in the space group P21/n is reported. The previously known form was also monoclinic, P21/c, but the unit cell parameters and crystal packing were different [Shoja & Saba (1993). Acta Cryst. C49, 354–355]. The hexahydropyrimidine ring of the title compound adopts a chair conformation with a diequatorial substitution and with the CH2-CN groups oriented nearly parallel and in the same direction [NC-CH2...CH2-CN pseudo torsion angle = 6.27 (18)°]. In the crystal, intermolecular C-H... N hydrogen bonds connects the molecules into a chain along the b axis.
Permanent Link: http://hdl.handle.net/11104/0201048
Number of the records: 1