Crystal structure of tetra-aqua-bis-(1,3-dimethyl-2,6-dioxo-7 H-purin-7-ido-κ N7)cobalt(II)

Hicham El Hamdani; Mohammed El Amane; Carine Duhayon

doi:10.1107/S2056989017011379

Crystal structure of tetra-aqua-bis-(1,3-dimethyl-2,6-dioxo-7 H-purin-7-ido-κ N⁷)cobalt(II)

Acta Crystallogr E Crystallogr Commun. 2017 Aug 4;73(Pt 9):1302-1304. doi: 10.1107/S2056989017011379. eCollection 2017 Sep 1.

Authors

Hicham El Hamdani¹, Mohammed El Amane¹, Carine Duhayon^{2

3}

Affiliations

¹ Equipe Metallation, Complexes Moleculaires et Applications, Universite Moulay, Ismail, Faculte des Sciences, Meknes, BP 11201 Zitoune, 50000 Meknes, Morocco.
² Laboratoire de Chimie de Coordination du CNRS, 205, route de Narbonne, BP 44099, F-31077 Toulouse Cedex 4, France.
³ Université de Toulouse, UPS, INPT, F-31077 Toulouse Cedex 4, France.

Abstract

The title complex, [Co(C₇H₇N₄O₂)₂(H₂O)₄], comprises mononuclear mol-ecules consisting of a Co^II ion, two deprotonated theophylline ligands (systematic name: 1,3-dimethyl-7H-purine-2,6-dione) and four coordinating water mol-ecules. The Co^II atom lies on an inversion centre and has a slightly distorted octa-hedral coordination environment, with two N atoms of two trans-oriented theophylline ligands and the O atoms of four water mol-ecules. An intra-molecular hydrogen bond stabilizes this conformation. A three-dimensional supra-molecular network structure is formed by inter-molecular O-H⋯O and O-H⋯N hydrogen bonds.

Keywords: cobalt; crystal structure; hydrogen bonding; theophylline.