Chicha Hakima, Rakib El Mostapha, Geffken Detlef, Saadi Mohamed, El Ammari Lahcen
Laboratoire de Chimie Organique et Analytique, Université Sultan Moulay Slimane, Faculté des Sciences et Techniques, Béni-Mellal, BP 523, Morocco.
Acta Crystallogr Sect E Struct Rep Online. 2013 Sep 28;69(Pt 10):o1589-90. doi: 10.1107/S1600536813025543. eCollection 2013.
In the title compound, C17H17N3O3 (.)0.5H2O, the indazole system makes a dihedral angle of 46.19 (8)° with the plane through the benzene ring and is nearly perpendicular to the allyl group, as indicated by the dihedral angle of 81.2 (3)°. In the crystal, the water mol-ecule, disordered over two sites related by an inversion center, forms O-H⋯N bridges between indazole N atoms of two sulfonamide mol-ecules. It is also connected via N-H⋯O inter-action to the third sulfonamide mol-ecule; however, due to the water mol-ecule disorder, only every second mol-ecule of sulfonamide participates in this inter-action. This missing inter-action results in a slight disorder of the sulfonamide S,O and N atoms which are split over two sites with half occupancy. With the help of C-H⋯O hydrogen bonds, the mol-ecules are further connected into a three-dimensional network.
在标题化合物C17H17N3O3·0.5H2O中,吲唑环系与通过苯环的平面形成46.19 (8)°的二面角,并且如81.2 (3)°的二面角所示,几乎垂直于烯丙基。在晶体中,通过对称中心相关的两个位置无序分布的水分子,在两个磺酰胺分子的吲唑氮原子之间形成O—H⋯N桥。它还通过N—H⋯O相互作用与第三个磺酰胺分子相连;然而,由于水分子的无序性,只有每隔一个磺酰胺分子参与这种相互作用。这种缺失的相互作用导致磺酰胺的S、O和N原子出现轻微无序,它们以半占据率分布在两个位置上。借助C—H⋯O氢键,分子进一步连接成三维网络。