trans-Di-chlorido-bis-(secnidazole-κN 3)copper(II)

• Published in: IUCrData Vol. 9; no. Pt 5; p. x240376
• Main Authors: Angel-Nieto, Ismael, Arroyo-Carmona, Rosa Elena, Pérez-Benítez, Aarón, Aguirre-Hernández, Gerardo, Bernès, Sylvain
• Format: Journal Article
• Language: English
• Published: International Union of Crystallography 03.05.2024
• Subjects: Data Reports
• ISSN: 2414-3146; 2414-3146
• DOI: 10.1107/S2414314624003766

The use of acetic acid (HOAc) in a reaction between CuCl2·2H2O and secnid-azole, an active pharmaceutical ingredient useful in the treatment against a variety of anaerobic Gram-positive and Gram-negative bacteria, affords the title complex, [CuCl2(C7H11N3O3)2]. This compound was previously synthesized using ethanol as solvent, although its crystal structure was not reported [Betanzos-Lara et al. (2013 ▸). Inorg. Chim. Acta, 397, 94-100]. In the mol-ecular complex, the Cu2+ cation is situated at an inversion centre and displays a square-planar coordination environment. There is a hydrogen-bonded framework based on inter-molecular O-H⋯Cl inter-actions, characterized by H⋯Cl separations of 2.28 (4) Å and O-H⋯Cl angles of 175 (3)°. The resulting supra-molecular network is based on R2 2 (18) ring motifs, forming chains in the [010] direction.The use of acetic acid (HOAc) in a reaction between CuCl2·2H2O and secnid-azole, an active pharmaceutical ingredient useful in the treatment against a variety of anaerobic Gram-positive and Gram-negative bacteria, affords the title complex, [CuCl2(C7H11N3O3)2]. This compound was previously synthesized using ethanol as solvent, although its crystal structure was not reported [Betanzos-Lara et al. (2013 ▸). Inorg. Chim. Acta, 397, 94-100]. In the mol-ecular complex, the Cu2+ cation is situated at an inversion centre and displays a square-planar coordination environment. There is a hydrogen-bonded framework based on inter-molecular O-H⋯Cl inter-actions, characterized by H⋯Cl separations of 2.28 (4) Å and O-H⋯Cl angles of 175 (3)°. The resulting supra-molecular network is based on R2 2 (18) ring motifs, forming chains in the [010] direction.