electronic reprint
Acta Crystallographica Section E Structure Reports Online ISSN 1600-5368
Editors: W. Clegg and D. G. Watson Bis [tris(1H-benzimidazol-2-ylmethyl)amine]chlorocobalt(II) tetrachlorocobaltate(II) methanol tetrasolvate Xue-Mei Li, Si-Si Feng, Hong-Mei Zhang, Ying-Lan Su, Shi-Dong Qin, Li-Ping Lu, * Wan-Hua Xue and Miao-Li Zhu
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storage in electronic databases or the like is not permitted without prior permission in writing from the IUCr. ¯ Acta Cryst. (2005). E61, m1067–m1069 Li et al. [CoCl(C24H21N7)]2[CoCl4]¡4CH4O metal-organic papers
Acta Crystallographica Section E Bis{[tris(1H-benzimidazol-2-ylmethyl)amine]- Structure Reports Online chlorocobalt(II)} tetrachlorocobaltate(II) methanol ISSN 1600-5368 tetrasolvate
a,b a Xue-Mei Li, Si-Si Feng, In the title compound, [CoCl(C24H21N7)]2[CoCl4] 4CH3OH, Received 28 April 2005 Hong-Mei Zhang,a Ying-Lan the crystal packing is stabilized by O—H Cl, N—H Cl and Accepted 3 May 2005 Online 14 May 2005 Su,a Shi-Dong Qin,a Li-Ping N—H O hydrogen bonds, weak C—H Cl interactions, and Lu,a* Wan-Hua Xuec and – stacking. The anion lies on a twofold rotation axis. Miao-Li Zhua* Comment aInstitute of Molecular Science, Key Laboratory of Chemical Biology and Molecular Engineering Imidazole (Im) and benzimidazole (Bzim) are common of the Education Ministry, Shanxi University, species in biological and biochemical structure and function Taiyuan, Shanxi 030006, People’s Republic of b (Sundberg et al.,1977; Santoro et al., 2000). Their derivatives China, Department of Chemistry, Yanbei have also found application in drug design in the form of Normal University, Datong, Shanxi 037009, People’s Republic of China, and cInstitute of antitumour (Arrowsmith et al., 2002) and anticancer (Hay et Applied Chemistry, Yanbei Normal University, al., 2003) agents. In an effort to explore these types of species Datong, Shanxi 037009, People’s Republic of in more detail, we have synthesized tris(benzimidazol-2- China ylmethyl)amine (NTB), which contains three benzimidazole rings, and report one of its complexes here. Correspondence e-mail: [email protected], [email protected]
Key indicators Single-crystal X-ray study T = 298 K Mean (C–C) = 0.018 A˚ R factor = 0.092 wR factor = 0.259 Data-to-parameter ratio = 15.3
For details of how these key indicators were automatically derived from the article, see http://journals.iucr.org/e.
The molecular structure of the title compound, (I), is shown in Fig. 1 and selected geometric data are listed in Table 1. The asymmetric unit consists of a [Co(NTB)Cl]+ cation, half of a 2 [CoCl4] anion and two solvent methanol molecules. The complete tetrachlorocobaltate anion is generated by twofold symmetry (atom Co2 lies on the twofold axis). The cation has a trigonal–bipyramidal coordination geometry around the Co1 centre, and the three benzimidazolyl N atoms make up the trigonal plane. The apical N atom of NTB and the Cl anion occupy the axial positions (Table 1). The dihedral angles between the Bzim rings are 111.9 (2) between plane 1 (C2– C8/N2/N3) and plane 2 (C10–C16/N4/N5), 125.5 (3) between plane 2 and plane 3 (C19–C24/N6/N7), and 118.6 (2) between planes 1 and 3. The Co—N(Bzim) bond lengths range from 2.016 (8) to 2.053 (7) A˚ , which is slightly longer than in related structures [2.008 (2)–2.031 (2) A˚ ; Hammes et al., 2002]. This difference may be a consequence of the steric constraint imposed by the chelate coordination.
# As shown in Table 2 and Fig. 2, the crystal packing of (I) is 2005 International Union of Crystallography Printed in Great Britain – all rights reserved stabilized by O—H Cl, N—H Cl and N—H O hydrogen