In:
Powder Diffraction, Cambridge University Press (CUP), Vol. 26, No. 4 ( 2011-12), p. 321-325
Abstract:
The structure of 3,4-diaminopyridin-1-ium dihydrogen phosphate, [C 5 H 3 (NH)(NH 2 ) 2 ] + (H 2 PO 4 ) − , is solved from conventional X-ray powder diffraction data in direct space (monoclinic unit cell with a = 16.0725(9) Å, b = 7.7301(3) Å, c = 14.6189(9) Å, β = 96.869(1)°, V = 1803.2(2) Å 3 , Z = 8, and space group I 2/ c ), and optimized by energy minimization in the solid state. In the crystal structure of the title compound, dihydrogenphosphate tetrahedra are linked by strong hydrogen O-H…O bonds forming chains running parallel to the b -axis. Antiparallelly π–π stacked DAP cations form molecular columns in the spaces between the chains. Although the dominant interaction of the molecules with their surroundings is electrostatic, their bonding are further enhanced by N-H…O and C-H…O hydrogen bonds.
Type of Medium:
Online Resource
ISSN:
0885-7156
,
1945-7413
Language:
English
Publisher:
Cambridge University Press (CUP)
Publication Date:
2011
detail.hit.zdb_id:
2047596-2
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