Three dimensional framework structures of N,N′,N′- tricyclohexylguanidinium halides

Article abstract of DOI:10.1007/s10870-012-0352-3

The structures of two salts of N,N′,N′-tricyclohexylguanidinium with chloride (1) and bromide (2) have been determined at 201 K. Crystals of both 1 and 2 are in the cubic space group P213, with Z = 4 and cell dimensions a = 12.5940(18) A (1) and a = 12.7352(8) A (2). In the isomorphous structures of 1 and 2, the orientation of the cyclohexyl rings around the planar CN₃ ⁺ unit produces steric hindrance. As a consequence of this particular orientation of the tricyclohexylguanidinium cation (hereafter denoted CHGH ⁺), hydrogen bonding is restricted to classical N-H·X and non-classical (cyclohexyl) C-H·X hydrogen bonds. Consequently, each guanidinium cation (CHGH⁺) is connected to three surrounding X^- anions and each X^- anion is connected with three surrounding cations to form three-dimensional structures. Springer Science+Business Media, LLC 2012.