Yang Jun, Zhang Cuijuan, Chu Jiaxiang
School of Chemical Sciences University of Chinese Academy of Sciences, 101408 Beijing People's Republic of China.
IUCrdata. 2024 Jun 4;9(Pt 6):x240497. doi: 10.1107/S2414314624004978. eCollection 2024 Jun.
In the title compound, [Mn(CHNO)(CHN)]·2CHCl, the central Mn ion is coordinated by four pyrrole N atoms of the porphyrin core in the basal sites and one N atom of the 2,5-di-methyl-imidazole ligand in the apical site. Two chloro-benzene solvent mol-ecules are also present in the asymmetric unit. Due to the apical imidazole ligand, the Mn atom is displaced out of the 24-atom porphyrin mean plane by 0.66 Å. The average Mn-N (p = porphyrin) bond length is 2.143 (8) Å, and the axial Mn-N (Im = 2,5-di-methyl-imidazole) bond length is 2.171 (8) Å. The structure displays inter-molecular and intra-molecular N-H⋯O, N-H⋯N, C-H⋯O and C-H⋯N hydrogen bonding. The crystal studied was refined as a two-component inversion twin.
在标题化合物[Mn(CHNO)(CHN)]·2CHCl中，中心锰离子在基面由卟啉核的四个吡咯氮原子配位，在顶点由2,5-二甲基咪唑配体的一个氮原子配位。不对称单元中还存在两个氯苯溶剂分子。由于顶点的咪唑配体，锰原子偏离24原子的卟啉平均平面0.66 Å。锰-氮（p = 卟啉）平均键长为2.143(8) Å，轴向锰-氮（Im = 2,5-二甲基咪唑）键长为2.171(8) Å。该结构显示出分子间和分子内的N-H⋯O、N-H⋯N、C-H⋯O和C-H⋯N氢键。所研究的晶体作为双组分倒易孪晶进行精修。
