Abstract
The asymmetric unit of the title compound, C20H20N4O·0.5H2O, contains two independent organic mol-ecules (1 and 2) and a water mol-ecule of crystallization. The two mol-ecules differ primarily in the dihedral angles between the aromatic rings, which are 7.79 (7) and 29.89 (7)° in mol-ecules 1 and 2, respectively. In each mol-ecule there is intra-molecular C-H⋯O hydrogen bond forming an S(6) ring motif. In mol-ecule 1 there is an intra-molecular N-H⋯π(pyrazole) inter-action and an intra-molecular C-H⋯π(pyrazole) inter-action present. Mol-ecule 1 is linked to mol-ecule 2 by a C-H⋯π(benzene ring) inter-action. An intra-molecular N-H⋯N hydrogen bond and an intra-molecular C-H⋯N hydrogen bond are also present in mol-ecule 2. In the crystal, the three components are linked by Owater-H⋯N, N-H⋯Owater and N-H⋯N hydrogen bonds, forming chains along the [100] direction. The chains are linked by C-H⋯O and C-H⋯N hydrogen bonds, forming layers parallel to the ab plane. Finally, the layers are linked by C-H⋯π inter-actions, forming a three-dimensional structure.
Highlights
The asymmetric unit of the title compound, C20H20N4OÁ0.5H2O, contains two independent organic molecules (1 and 2) and a water molecule of crystallization
An intramolecular N—HÁ Á ÁN hydrogen bond and an intramolecular C—HÁ Á ÁN hydrogen bond are present in molecule 2
The three components are linked by Owater—HÁ Á ÁN, N—HÁ Á ÁOwater and N—HÁ Á ÁN hydrogen bonds, forming chains along the [100] direction
Summary
Pyrazole derivatives are biologically active heterocyclic compounds (Karrouchi et al, 2018). This compound class has been the topic of numerous pharmaceutical studies with members being used for their medicinal properties such as anti-inflammatory (Abdellatif et al, 2018), antidiabetic (Pillai et al, 2019), antiviral (El-Sabbagh et al, 2009), analgesic (Karrouchi et al, 2016), antitumoral (Guillen et al, 2017), catecholase (Karrouchi et al, 2018), and even as insecticides (Shi et al, 2017). Symmetry codes: (i) Àx þ 1; Ày þ 1; Àz þ 1; (ii) x; y; z À 1; (iii) Àx; Ày þ 1; Àz þ 1; (iv) Àx; Ày; Àz; (v) Àx; Ày; Àz þ 1
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