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Structure of the mercury(II) mixed-halide (Br/Cl) complex of 2,2′-(5-tert-butyl-1,3-phenylene)bis(1-pentyl-1H-benzo[d]imidazole)
The mercury(II) complex of 2,2′-(5-tert-butyl-1,3-phenylene)bis(1-pentyl-1H-benzimidazole), namely catena-poly[[dihalogenidomercury(II)]-μ-2,2′-(5-tert-butyl-1,3-phenylene)bis(1-pentyl-1H-benzimidazole)-κ(2) N (3):N (3′)], [HgBr(1.52)Cl(0.48)(C(34)H(42)N(4))], 2, has a polymeric structure brid...
Autores principales: | , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2017
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5347069/ https://www.ncbi.nlm.nih.gov/pubmed/28316824 http://dx.doi.org/10.1107/S2056989017002183 |
Sumario: | The mercury(II) complex of 2,2′-(5-tert-butyl-1,3-phenylene)bis(1-pentyl-1H-benzimidazole), namely catena-poly[[dihalogenidomercury(II)]-μ-2,2′-(5-tert-butyl-1,3-phenylene)bis(1-pentyl-1H-benzimidazole)-κ(2) N (3):N (3′)], [HgBr(1.52)Cl(0.48)(C(34)H(42)N(4))], 2, has a polymeric structure bridging via the N atoms from the benzimidazole moieties of the ligand. The compound crystallizes in the orthorhombic space group Pca2(1) and is a racemic twin [BASF = 0.402 (9)]. The geometry around the Hg(II) atom is distorted tetrahedral, with the Hg(II) atom coordinated to two N atoms, one Br atom, and a fourth coordination site is occupied by a mixed halide (Br/Cl). For the two ligands in the asymmetric unit, there is disorder with one of the two tert-butyl groups and benzimidazole moieties showing twofold disorder, with occupancy factors of 0.57 (2):0.43 (2) for the tert-butyl group and 0.73 (3):0.27 (3) for the benzimidazole group. In addition, there is threefold disorder for two of the four n-pentyl groups, with occupancy factors of 0.669 (4):0.177 (4):0.154 (4) and 0.662 (4):0.224 (4):0.154 (4), respectively. The molecules form a one-dimensional helical polymer propagating in the b-axis direction. The helices are held together by intra-strand C—H⋯Br and C—H⋯Cl interactions. Each strand is further linked by inter-strand C—H⋯Br and C—H⋯Cl interactions. In addition, there are weak C—H⋯N inter-strand interactions which further stabilize the structural arrangement. |
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