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Crystal structure of 2-amino-1,3-di-bromo-6-oxo-5,6-di-hydro-pyrido[1,2-a]quinoxalin-11-ium bromide monohydrate.

Faizi MS, Parashchenko Y - Acta Crystallogr E Crystallogr Commun (2015)

Bottom Line: In the title hydrated salt, C12H8Br2N3O(+)·Br(-)·H2O, which was synthesized by the reaction of the pyridine derivative Schiff base N (1),N (4)-bis-(pyridine-2-yl-methyl-ene)benzene-1,4-di-amine with bromine, the asymmetric unit contains a 2-amino-1,3-di-bromo-6-oxo-5,6-di-hydro-pyrido[1,2-a]quinoxalin-11-ium cation, with a protonated pyridine moiety, a bromide anion and a water mol-ecule of solvation.The cation is non-planar with the di-bromo-substituted benzene ring, forming dihedral angles of 24.3 (4) and 11.5 (4)° with the fused pyridine and pyrazine ring moieties, respectively.In the crystal, the cations are linked through a centrosymmetric hydrogen-bonded cyclic R 4 (2)(8) Br2(H2O)2 unit by N-H⋯Br, N-H⋯O and O-H⋯Br hydrogen bonds, forming one-dimensional ribbons extending along b, with the planes of the cations lying parallel to (100).

View Article: PubMed Central - HTML - PubMed

Affiliation: Department of Chemistry, College of Science, Sultan Qaboos University, PO Box 36 Al-Khod 123, Muscat, Sultanate of , Oman.

ABSTRACT
In the title hydrated salt, C12H8Br2N3O(+)·Br(-)·H2O, which was synthesized by the reaction of the pyridine derivative Schiff base N (1),N (4)-bis-(pyridine-2-yl-methyl-ene)benzene-1,4-di-amine with bromine, the asymmetric unit contains a 2-amino-1,3-di-bromo-6-oxo-5,6-di-hydro-pyrido[1,2-a]quinoxalin-11-ium cation, with a protonated pyridine moiety, a bromide anion and a water mol-ecule of solvation. The cation is non-planar with the di-bromo-substituted benzene ring, forming dihedral angles of 24.3 (4) and 11.5 (4)° with the fused pyridine and pyrazine ring moieties, respectively. In the crystal, the cations are linked through a centrosymmetric hydrogen-bonded cyclic R 4 (2)(8) Br2(H2O)2 unit by N-H⋯Br, N-H⋯O and O-H⋯Br hydrogen bonds, forming one-dimensional ribbons extending along b, with the planes of the cations lying parallel to (100).

No MeSH data available.


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The layering of the ribbon structures, viewed along the b axis.
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fig3: The layering of the ribbon structures, viewed along the b axis.

Mentions: In the crystal, the cations are linked through a centrosymmetric hydrogen-bonded cyclic (8) Br2(H2O)2 unit and N—H⋯Br, N—H⋯O and O—H⋯Br hydrogen bonds (Table 1 ▸), forming broad one-dimensional ribbons extending along b (Fig. 2 ▸). The planes of the cations lie parallel to (100). Fig. 3 ▸ shows the packing in the unit cell, viewed along the b axis, in which layers of quinoxalinium cations are embedded between ionic layers of anions and vice versa, forming an alternating hydro­carbon–ionic layer structure. No inter­molecular π–π inter­ations are evident in the hydro­carbon layer in the structure.


Crystal structure of 2-amino-1,3-di-bromo-6-oxo-5,6-di-hydro-pyrido[1,2-a]quinoxalin-11-ium bromide monohydrate.

Faizi MS, Parashchenko Y - Acta Crystallogr E Crystallogr Commun (2015)

The layering of the ribbon structures, viewed along the b axis.
© Copyright Policy - open-access
Related In: Results  -  Collection

License
Show All Figures
getmorefigures.php?uid=PMC4645018&req=5

fig3: The layering of the ribbon structures, viewed along the b axis.
Mentions: In the crystal, the cations are linked through a centrosymmetric hydrogen-bonded cyclic (8) Br2(H2O)2 unit and N—H⋯Br, N—H⋯O and O—H⋯Br hydrogen bonds (Table 1 ▸), forming broad one-dimensional ribbons extending along b (Fig. 2 ▸). The planes of the cations lie parallel to (100). Fig. 3 ▸ shows the packing in the unit cell, viewed along the b axis, in which layers of quinoxalinium cations are embedded between ionic layers of anions and vice versa, forming an alternating hydro­carbon–ionic layer structure. No inter­molecular π–π inter­ations are evident in the hydro­carbon layer in the structure.

Bottom Line: In the title hydrated salt, C12H8Br2N3O(+)·Br(-)·H2O, which was synthesized by the reaction of the pyridine derivative Schiff base N (1),N (4)-bis-(pyridine-2-yl-methyl-ene)benzene-1,4-di-amine with bromine, the asymmetric unit contains a 2-amino-1,3-di-bromo-6-oxo-5,6-di-hydro-pyrido[1,2-a]quinoxalin-11-ium cation, with a protonated pyridine moiety, a bromide anion and a water mol-ecule of solvation.The cation is non-planar with the di-bromo-substituted benzene ring, forming dihedral angles of 24.3 (4) and 11.5 (4)° with the fused pyridine and pyrazine ring moieties, respectively.In the crystal, the cations are linked through a centrosymmetric hydrogen-bonded cyclic R 4 (2)(8) Br2(H2O)2 unit by N-H⋯Br, N-H⋯O and O-H⋯Br hydrogen bonds, forming one-dimensional ribbons extending along b, with the planes of the cations lying parallel to (100).

View Article: PubMed Central - HTML - PubMed

Affiliation: Department of Chemistry, College of Science, Sultan Qaboos University, PO Box 36 Al-Khod 123, Muscat, Sultanate of , Oman.

ABSTRACT
In the title hydrated salt, C12H8Br2N3O(+)·Br(-)·H2O, which was synthesized by the reaction of the pyridine derivative Schiff base N (1),N (4)-bis-(pyridine-2-yl-methyl-ene)benzene-1,4-di-amine with bromine, the asymmetric unit contains a 2-amino-1,3-di-bromo-6-oxo-5,6-di-hydro-pyrido[1,2-a]quinoxalin-11-ium cation, with a protonated pyridine moiety, a bromide anion and a water mol-ecule of solvation. The cation is non-planar with the di-bromo-substituted benzene ring, forming dihedral angles of 24.3 (4) and 11.5 (4)° with the fused pyridine and pyrazine ring moieties, respectively. In the crystal, the cations are linked through a centrosymmetric hydrogen-bonded cyclic R 4 (2)(8) Br2(H2O)2 unit by N-H⋯Br, N-H⋯O and O-H⋯Br hydrogen bonds, forming one-dimensional ribbons extending along b, with the planes of the cations lying parallel to (100).

No MeSH data available.


Related in: MedlinePlus