Abstract
In the cation of the title hydrated salt, C11H9N4O4 +·Cl−·H2O, the six-membered rings are inclined to each other at 79.0 (1)° and an intramolecular N—H⋯O hydrogen bond occurs. In the crystal, N—H⋯Cl hydrogen bonds link two cations and two anions into centrosymmetric group, and O—H⋯Cl hydrogen bonds involving the water molecules further link these groups into chains in [101]. An O—H⋯O interaction is also present. The water molecule is disordered over two sets of sites in a 0.555 (13):0.445 (13) ratio
Highlights
In the cation of the title hydrated salt, C11H9N4O4+ClH2O, the six-membered rings are inclined to each other at 79.0 (1)
The water molecule is disordered over two sets of sites in a 0.555 (13):0.445 (13) ratio
Symmetry codes: (i) −x+2, −y+1, −z+1; (ii) x−1, y, z; (iii) −x+1, −y+1, −z
Summary
PG and Research Department of Chemistry, Seethalakshmi Ramaswami College, Tiruchirappalli 620 002, Tamil Nadu, India. Key indicators: single-crystal X-ray study; T = 293 K; mean (C–C) = 0.002 Å; disorder in solvent or counterion; R factor = 0.038; wR factor = 0.112; data-toparameter ratio = 14.0. In the cation of the title hydrated salt, C11H9N4O4+ClH2O, the six-membered rings are inclined to each other at 79.0 (1). An intramolecular N—H O hydrogen bond occurs. N—H Cl hydrogen bonds link two cations and two anions into centrosymmetric group, and O—H Cl hydrogen bonds involving the water molecules further link these groups into chains in [101]. The water molecule is disordered over two sets of sites in a 0.555 (13):0.445 (13) ratio
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