Synthesis and crystal structure of C5H12NPO4H2

Synthesis and crystal structure are described for a new non-cento-symmetric organic-cation monophosphate, C5H10NH2.H2PO4. This compound is triclinic P 1 with the following unit-cell parameters: a = 6.2397(6), b = 8.4191(7), c = 8.8523(2) Angstrom, alpha = 112.485(4), beta = 89.992(4), gamma = 90.104( 7), V = 429.37(5) Angstrom (3), Z = 2, and D-x = 0.709 g cm(-3). Crystal st ructure was solved with a final R value of 0.03 for 2347 independent reflec tions. The H2PO4 groups form, via strong hydrogen bonds, corrugated infinit e chains (H2PO4)(n)(n-) spreading along the a direction. Between these chai ns coexist two crystallographically independent organic groups, which conne ct the chains with hydrogen bonds. (C) 2001 Academic Press.