Ohshima Eriko, Yoshida Kazuki, Sugiyama Kazumasa, Uekusa Hidehiro
Acta Crystallogr Sect E Struct Rep Online. 2012 Aug 1;68(Pt 8):m1093-4. doi: 10.1107/S1600536812031753. Epub 2012 Jul 21.
The title compound, [Fe(C(5)H(3)N(2)O(4))(2)(H(2)O)(2)], is a triclinic modification of a monoclinic form recently reported by Du et al. [Acta Cryst. (2011) ▶, E67, m997]. The Fe(II) ion lies at an inversion center and is coordinated by two N and two O atoms from two 5-carb-oxy-1H-imidazole-4-carboxyl-ate ligands in trans positions, together with two water mol-ecules, completing a slightly distorted octahedral coordination. Inter-molecular N-H⋯O hydrogen bonding between the N-H group of the imidazole ring and the deprotonated carboxyl-ate group builds a chain of 5-carb-oxy-1H-imidazole-4-carboxyl-ate anions along the [101] direction. The water molecules form intermolecular hydrogen bonds to O-C and O=C sites of the carboxylate group in adjacent layers.
标题化合物[Fe(C₅H₃N₂O₄)₂(H₂O)₂]是Du等人最近报道的单斜晶型的三斜晶型变体[《晶体学报》(2011年)▶,E67,m997]。Fe(II)离子位于一个对称中心,由来自两个5-羧基-1H-咪唑-4-羧酸盐配体的两个N原子和两个O原子在反位配位,还有两个水分子,形成一个稍有畸变的八面体配位。咪唑环的N-H基团与去质子化的羧酸盐基团之间的分子间N-H⋯O氢键沿着[101]方向形成了一条5-羧基-1H-咪唑-4-羧酸盐阴离子链。水分子与相邻层中羧酸盐基团的O-C和O=C位点形成分子间氢键。