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2,2´-(1,3-Diazinane-1,3-diyl)diacetonitrile: a second monoclinic polymorph
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SYSNO ASEP 0365917 Document Type J - Journal Article R&D Document Type Journal Article Subsidiary J Článek ve WOS Title 2,2´-(1,3-Diazinane-1,3-diyl)diacetonitrile: a second monoclinic polymorph Author(s) Rivera, A. (CO)
Maldonado, M. (CO)
Ríos-Motta, J. (CO)
Fejfarová, Karla (FZU-D)
Dušek, Michal (FZU-D) RID, ORCID, SAISource Title Acta Crystallographica Section E-Structure Reports Online. - : Oxford Blackwell - ISSN 1600-5368
Roč. 67, Part 10 (2011), o2734/sup6Number of pages 8 s. Language eng - English Country DK - Denmark Keywords crystal structure ; X-ray diffraction Subject RIV BM - Solid Matter Physics ; Magnetism CEZ AV0Z10100521 - FZU-D (2005-2011) UT WOS 000295615400103 DOI 10.1107/S1600536811038013 Annotation 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. Workplace Institute of Physics Contact Kristina Potocká, potocka@fzu.cz, Tel.: 220 318 579 Year of Publishing 2012
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