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Journal of Structural Chemistry

2012 year, number 5

CRYSTAL AND MOLECULAR STRUCTURE OF 1-PHENYL-2-NITROGUANIDINE

A. M. Astakhov, A. D. Vasiliev, V. A. Revenko
Keywords: nitrimines, nitroguanidine, single crystal X-ray diffraction study, molecular structure
Pages: 1031-1034

Abstract

The molecular structure of 1-phenyl-2-nitroguanidine is nonplanar, but contains two almost planar fragments: nitroguanyl and phenyl groups. Unlike previously studied nitroguanidines, in 1-phenyl-2-nitroguanidine, the nitro group is turned to the secondary amino group. However, the structural parameters of the nitroguanyl group are little different from those of nitroguanidine and its alkyl derivatives. In the benzene ring, the symmetry in the geometric parameters is not observed, which is explained by the intermolecular interaction with the neighboring molecule.