Received 15 August 2011
A new monoclinic polymorph of the title compound, C8H12N4, in the space group P21/n (Z = 4) is reported. The previously known form was also monoclinic, P21/c (Z = 4), 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-CH2CH2-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.
For the original monoclinic polymorph, see: Shoja & Saba (1993). For the synthesis of the title compound, see: Rivera et al. (2004); Katritzky et al. (1990). For the use of nitriles in synthesis, see: Prasad & Bhalla (2010).
Data collection: CrysAlis PRO (Agilent, 2010); cell refinement: CrysAlis PRO; data reduction: CrysAlis PRO; program(s) used to solve structure: SIR2002 (Burla et al., 2003); program(s) used to refine structure: JANA2006 (Petrícek et al. 2006); molecular graphics: DIAMOND (Brandenburg & Putz, 2005); software used to prepare material for publication: JANA2006.
Supplementary data and figures for this paper are available from the IUCr electronic archives (Reference: GK2401 ).
We acknowledge the Dirección de Investigaciones, Sede Bogotá (DIB) de la Universidad Nacional de Colombia, for financial support of this work, as well as the Institutional research plan No. AVOZ10100521 of the Institute of Physics and the Praemium Academiae project of the Academy of Sciences of the Czech Republic.
Agilent (2010). CrysAlis PRO. Agilent Technologies, Yarnton, England.
Brandenburg, K. & Putz, H. (2005). DIAMOND. Crystal Impact, Bonn, Germany.
Burla, M. C., Camalli, M., Carrozzini, B., Cascarano, G. L., Giacovazzo, C., Polidori, G. & Spagna, R. (2003). J. Appl. Cryst. 36, 1103.
Katritzky, A. R., Pilarski, B. & Urogdi, L. (1990). J. Chem. Soc. Perkin Trans. 1, pp. 541-547.
Petrícek, V., Dusek, M. & Palatinus, L. (2006). JANA2006. Institute of Physics, Praha, Czech Republic.
Prasad, S. & Bhalla, T. C. (2010). Biotechnol. Adv. 28, 725-741.
Rivera, A., Núñez, M. E., Maldonado, M. & Joseph-Nathan, P. (2004). Heterocycl. Commun. 10, 77-80.
Shoja, M. & Saba, S. (1993). Acta Cryst. C49, 354-355.