Arfan Mohammad, Tahir M Nawaz, Khan Rasool, Iqbal Mohammad S
Acta Crystallogr Sect E Struct Rep Online. 2009 Apr 18;65(Pt 5):o1051. doi: 10.1107/S1600536809013841.
In the title hydrated mol-ecular salt, C(9)H(10)N(3)O(+)·C(7)H(7)O(3)S(-)·H(2)O, the cation is protonated at a quinazolinone N atom and an intra-molecular N-H⋯O hydrogen bond occurs. In the crystal structure, inter-molecular N-H⋯O and O-H⋯O hydrogen bonds and C-H⋯O, C-H⋯π and weak aromatic π-π stacking inter-actions [centroid-centroid separations = 3.8648 (12) and 3.9306 (13) Å] help to establish the packing; a short S=O⋯π contact is also seen.
在标题水合分子盐C(9)H(10)N(3)O(+)·C(7)H(7)O(3)S(-)·H(2)O中,阳离子在喹唑啉酮的一个氮原子处质子化,且存在分子内N-H⋯O氢键。在晶体结构中,分子间N-H⋯O和O-H⋯O氢键以及C-H⋯O、C-H⋯π和弱芳香π-π堆积相互作用[质心-质心间距 = 3.8648 (12) 和3.9306 (13) Å]有助于形成堆积;还观察到一个短的S=O⋯π接触。