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Crystal structure of (E)-4-{4-[eth-yl(2-hydroxy-eth-yl)amino]-styr-yl}-1-methyl-pyridinium nitrate hemihydrate.

Zhang H, Peng MH, Wang XJ, Li XY - Acta Crystallogr E Crystallogr Commun (2015)

Bottom Line: The asymmetric unit of the title compound, C18H23N2O(+)·NO3 (-)·0.5H2O, contains two independent 4-{4-[eth-yl(2-hy-droxy-eth-yl)amino]-styr-yl}-1-methyl-pyridin-1-ium cations, two nitrate anions and one lattice water mol-ecule.In the cations, the pyridine ring is twisted with respect by 7.98 (12) and 18.42 (10)° to the benzene ring.In the crystal, one of the independent cations is disordered, the central vinyl unit and the terminal hy-droxy-lethyl group being disordered over two sets of sites with site occupancy factors of 0.600 (6) and 0.400 (6).

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Affiliation: Department of Chemistry, Anhui University, Hefei 230039, People's Republic of China ; Key Laboratory of Functional Inorganic Materials Chemistry, Hefei 230039, People's Republic of China.

ABSTRACT
The asymmetric unit of the title compound, C18H23N2O(+)·NO3 (-)·0.5H2O, contains two independent 4-{4-[eth-yl(2-hy-droxy-eth-yl)amino]-styr-yl}-1-methyl-pyridin-1-ium cations, two nitrate anions and one lattice water mol-ecule. In the cations, the pyridine ring is twisted with respect by 7.98 (12) and 18.42 (10)° to the benzene ring. In the crystal, the cations, the anions and the lattice water mol-ecules are linked by O-H⋯O hydrogen bonds and weak C-H⋯O hydrogen bonds, forming a three-dimensional supra-molecular architecture. π-π stacking occurs between pyridine and benzene rings of adjacent cations, the centroid-centroid distances being 3.8169 (15) and 3.8663 (14) Å. In the crystal, one of the independent cations is disordered, the central vinyl unit and the terminal hy-droxy-lethyl group being disordered over two sets of sites with site occupancy factors of 0.600 (6) and 0.400 (6).

No MeSH data available.


: The structure of the title compound, with atom labels and 50% probability displacement ellipsoids for non-H atoms.
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Fap1: : The structure of the title compound, with atom labels and 50% probability displacement ellipsoids for non-H atoms.


Crystal structure of (E)-4-{4-[eth-yl(2-hydroxy-eth-yl)amino]-styr-yl}-1-methyl-pyridinium nitrate hemihydrate.

Zhang H, Peng MH, Wang XJ, Li XY - Acta Crystallogr E Crystallogr Commun (2015)

: The structure of the title compound, with atom labels and 50% probability displacement ellipsoids for non-H atoms.
© Copyright Policy - open-access
Related In: Results  -  Collection

License
Show All Figures
getmorefigures.php?uid=PMC4384630&req=5

Fap1: : The structure of the title compound, with atom labels and 50% probability displacement ellipsoids for non-H atoms.
Bottom Line: The asymmetric unit of the title compound, C18H23N2O(+)·NO3 (-)·0.5H2O, contains two independent 4-{4-[eth-yl(2-hy-droxy-eth-yl)amino]-styr-yl}-1-methyl-pyridin-1-ium cations, two nitrate anions and one lattice water mol-ecule.In the cations, the pyridine ring is twisted with respect by 7.98 (12) and 18.42 (10)° to the benzene ring.In the crystal, one of the independent cations is disordered, the central vinyl unit and the terminal hy-droxy-lethyl group being disordered over two sets of sites with site occupancy factors of 0.600 (6) and 0.400 (6).

View Article: PubMed Central - HTML - PubMed

Affiliation: Department of Chemistry, Anhui University, Hefei 230039, People's Republic of China ; Key Laboratory of Functional Inorganic Materials Chemistry, Hefei 230039, People's Republic of China.

ABSTRACT
The asymmetric unit of the title compound, C18H23N2O(+)·NO3 (-)·0.5H2O, contains two independent 4-{4-[eth-yl(2-hy-droxy-eth-yl)amino]-styr-yl}-1-methyl-pyridin-1-ium cations, two nitrate anions and one lattice water mol-ecule. In the cations, the pyridine ring is twisted with respect by 7.98 (12) and 18.42 (10)° to the benzene ring. In the crystal, the cations, the anions and the lattice water mol-ecules are linked by O-H⋯O hydrogen bonds and weak C-H⋯O hydrogen bonds, forming a three-dimensional supra-molecular architecture. π-π stacking occurs between pyridine and benzene rings of adjacent cations, the centroid-centroid distances being 3.8169 (15) and 3.8663 (14) Å. In the crystal, one of the independent cations is disordered, the central vinyl unit and the terminal hy-droxy-lethyl group being disordered over two sets of sites with site occupancy factors of 0.600 (6) and 0.400 (6).

No MeSH data available.