Bis(3-carbamoylpyridin-1-ium) phosphite mono-hydrate

Abstract

Two of the constituent mol-ecules in the title structure, 2C₆H₇N₂O⁺·HPO₃^2-·H₂O, i.e. the phosphite anion and the water mol-ecule, are situated on a symmetry plane. The mol-ecules are held together by moderate N-H⋯O and O-H⋯N, and weak O-H⋯O and C-H⋯O_carbon-yl hydrogen bonds in which the amide and secondary amine groups, and the water molecules are involved. The structural features are usual, among them the H atom bonded to the P atom avoids hydrogen bonding.

Keywords: crystal structure; hydrogen bonding; phosphite.

Figure 1

The title mol­ecule, with anisotropic atomic displacement ellipsoids shown at the 50% probability level (PLATON; Spek, 2009 ▸).

Figure 2

View of the title structure. C, H, N, O and P atoms are represented by gray, small gray, blue, red and violet circles, respectively. [Symmetry codes: (i) −x + 1, y, z; (ii) x, y − 1, z; (iii) x, y − 1, z; (iv) −x + , −y + 1, z − ; (v) −x + 2, y − 1, z; (vi) −x + , −y + 1, z + ; (vii) x − , −y + 1, z − ; (viii) x, y − 1, z − 1.] The hydrogen bonds are shown as yellow dashed lines (DIAMOND; Brandenburg & Putz, 2005 ▸).

Figure 3

The dependence of the longest P—O distance (Å) on the P—H distance (Å) in hydrogen phosphites (red circles); phosphites are represented by black squares and the title phosphite structure by a green triangle.