The Preparation and Crystal-Structure of N³,N⁴-Dimethylpyrrole-3,4-dicarboxamide Monohydrate

Abstract

The crystal structure of N³,N⁴-dimethylpyrrole-3,4-dicarboxamide monohydrate has been determined and refined to a residual of 0.034 for 1015 observed reflections. Crystals are monoclinic, space group P2₁/n with Z 4 in a cell of dimensions a 7.367(2), b 19.984(4), c 7.621(2) Å, β 117.84(1)º. The pyrrole ring and the substituent amide side chains are essentially coplanar. The side chains are syn-syn related with an intramolecular hydrogen bond between a carbonyl oxygen of one group and the amide hydrogen of the other [O…N, 2.718(2) Å ]. Intermolecular hydrogen bonding is also found between the pyrrole NH group and a carbonyl oxygen [N…O, 2.770(2) Å ] and between the lattice water and three separate amide residues [N…O, 2.878(2); OH…O, 2.747, 2.865(2) Å ].