» Articles » PMID: 38974852

(2,5-Di-methyl-imidazole){,','','''-[porphyrin-5,10,15,20-tetra-yltetra-(2,1-phenyl-ene)]tetra-kis(pyridine-3-carboxamide)}manganese(II) Chloro-benzene Disolvate

Overview
Journal IUCrdata
Date 2024 Jul 8
PMID 38974852
Authors
Affiliations
Soon will be listed here.
Abstract

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.

References
1.
Nappa N, Valentine J, Snyder P . Imidazolate complexes of ferric porphyrins. J Am Chem Soc. 1977; 99(17):5799-5800. DOI: 10.1021/ja00459a045. View

2.
Kirner J, Reed C, Scheidt W . Stereochemistry of manganese porphyrins. 3. Molecular stereochemistry of alpha,beta,gamma,delta-tetraphenylporphinato-(1-methylimidazole)manganese(II)1,2. J Am Chem Soc. 1977; 99(8):2557-63. DOI: 10.1021/ja00450a025. View

3.
Yu Q, Liu Y, Liu D, Li J . Geometric and electronic structures of five-coordinate manganese(ii) "picket fence" porphyrin complexes. Dalton Trans. 2015; 44(20):9382-90. DOI: 10.1039/c5dt00685f. View

4.
Deepak R, Sankararamakrishnan R . N-H···N Hydrogen Bonds Involving Histidine Imidazole Nitrogen Atoms: A New Structural Role for Histidine Residues in Proteins. Biochemistry. 2016; 55(27):3774-83. DOI: 10.1021/acs.biochem.6b00253. View

5.
Krause L, Herbst-Irmer R, Sheldrick G, Stalke D . Comparison of silver and molybdenum microfocus X-ray sources for single-crystal structure determination. J Appl Crystallogr. 2015; 48(Pt 1):3-10. PMC: 4453166. DOI: 10.1107/S1600576714022985. View