title: 5-Amino-3-methyl-1-phenyl-1H-pyrazole-4-carbaldehyde hemihydrate: a polarized electronic structure within hydrogen-bonded sheets of R(10)(8)(34) rings.
abstract: In the title compound, C(11)H(11)N(3)O.0.5H(2)O, the water molecule lies across a twofold rotation axis in the space group Pbcn. The bond distances in the organic component provide evidence for polarization of the electronic structure. The molecular components are linked into puckered sheets of R(10)(8)(34) rings by a combination of O-H...N and N-H...O hydrogen bonds; adjacent sheets are weakly linked by an aromatic pi-pi stacking interaction. Comparisons are made with some fused-ring analogues.
authors.affiliation: Departamento de Química, Universidad de Valle, AA 25360 Cali, Colombia.
authors.forename: Jairo
authors.initials: J
authors.lastname: Quiroga
authors.forename: Jorge
authors.initials: J
authors.lastname: Trilleras
authors.forename: Justo
authors.initials: J
authors.lastname: Cobo
authors.forename: Christopher
authors.initials: C
authors.lastname: Glidewell