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2-(4-Amino-phen-yl)-3,4,5,6-tetra-hydro-pyrimidin-1-ium chloride.

ABSTRACT: In the title compound, C(10)H(14)N(3) (+)·Cl(-), the tetra-hydro-pyridinium ring of the cation, which adopts a slightly distorted envelope conformation, is disordered over two orientations with an occupancy ratio of 0.653?(5):0.347?(5). The amidinium fragment of the major conformer is twisted relative to the benzene ring by 22.5?(6)° and the two C-N bond lengths of this fragment are similar [1.3228?(16) and 1.319?(2)?Å]. In the crystal, the chloride anions are involved in three N-H?Cl hydrogen bonds, which link the components into a two-dimensional hydrogen-bonded network parallel to (010).

SUBMITTER: Molcanov K

PROVIDER: S-EPMC3344492 | biostudies-literature | 2012 May

REPOSITORIES: biostudies-literature

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2-(4-Amino-phen-yl)-3,4,5,6-tetra-hydro-pyrimidin-1-ium chloride.

Molčanov Krešimir K Stolić Ivana I Kojić-Prodić Biserka B Kovačević Goran G Bajić Miroslav M

Acta crystallographica. Section E, Structure reports online 20120413 Pt 5

In the title compound, C(10)H(14)N(3) (+)·Cl(-), the tetra-hydro-pyridinium ring of the cation, which adopts a slightly distorted envelope conformation, is disordered over two orientations with an occupancy ratio of 0.653 (5):0.347 (5). The amidinium fragment of the major conformer is twisted relative to the benzene ring by 22.5 (6)° and the two C-N bond lengths of this fragment are similar [1.3228 (16) and 1.319 (2) Å]. In the crystal, the chloride anions are involved in three N-H⋯Cl hydrogen b ...[more]

PMID: 22590254

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