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

Molčanov K, Stolić I, Kojić-Prodić B, Kovačević G, Bajić M - Acta Crystallogr Sect E Struct Rep Online (2012)

Bottom Line: 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).

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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).

No MeSH data available.


ORTEP-3 (Farrugia, 1997) drawing of the asymmetric unit of the title compound showing the major position of the disordered tetrahydropyrimidinium ring (B). Displacement ellipsoids are drawn at the 50% probability level and hydrogen atoms are depicted as spheres of arbitrary radii.
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Fap1: ORTEP-3 (Farrugia, 1997) drawing of the asymmetric unit of the title compound showing the major position of the disordered tetrahydropyrimidinium ring (B). Displacement ellipsoids are drawn at the 50% probability level and hydrogen atoms are depicted as spheres of arbitrary radii.


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

Molčanov K, Stolić I, Kojić-Prodić B, Kovačević G, Bajić M - Acta Crystallogr Sect E Struct Rep Online (2012)

ORTEP-3 (Farrugia, 1997) drawing of the asymmetric unit of the title compound showing the major position of the disordered tetrahydropyrimidinium ring (B). Displacement ellipsoids are drawn at the 50% probability level and hydrogen atoms are depicted as spheres of arbitrary radii.
© Copyright Policy - open-access
Related In: Results  -  Collection

License
Show All Figures
getmorefigures.php?uid=PMC3344492&req=5

Fap1: ORTEP-3 (Farrugia, 1997) drawing of the asymmetric unit of the title compound showing the major position of the disordered tetrahydropyrimidinium ring (B). Displacement ellipsoids are drawn at the 50% probability level and hydrogen atoms are depicted as spheres of arbitrary radii.
Bottom Line: 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).

View Article: PubMed Central - HTML - PubMed

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).

No MeSH data available.