Synthesis, Crystal Packing Aspects and Pseudosymmetry in Coordination Compounds with a Phosphorylamide Ligand

Author:

Sukhikh Taisiya S.ORCID,Khisamov Radmir M.,Konchenko Sergey N.

Abstract

This work reports the synthesis and crystal structure of new closely related coordination compounds, [ML2]·nTHF, where M is Zn or Mn; L is a phosphorylmethylamide derivative of benzothiadiazole; n = 1 (M = Zn) and 1, 2 (M = Mn); and THF is tetrahydrofuran. The zinc compound, 1·THF, crystallizes in a high-symmetry space group, I41/a, that is relatively rare for compounds with organic ligands. The corresponding manganese congener, 2·THF, with a similar crystal packing, features a pseudosymmetrical structure P21/c of the doubled volume of the unit cell as compared to 1·THF. The main difference between the structures lies in a different arrangement of solvate THF molecules, which likely modulates the crystal packing of the complexes. Another manganese solvatomorph, 2·2THF, reveals a fundamentally different crystal packing while exhibiting a similar geometry of the complex. We consider the problem of localization of solvate THF molecules and the types of their disorder by the example of compounds 1–2.

Funder

Russian Science Foundation

Ministry of Science and Higher Education of the Russian Federation

Publisher

MDPI AG

Subject

Physics and Astronomy (miscellaneous),General Mathematics,Chemistry (miscellaneous),Computer Science (miscellaneous)

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