The first coordination compounds of OP[NC4H8O]3 phosphoric triamide ligand: structural study and Hirshfeld surface analysis of SnIV and MnII complexes. Issue 7 (3rd April 2017)

• Record Type: Journal Article
• Authors: Pourayoubi, Mehrdad; Tarahhomi, Atekeh; Golen, James A.; Rheingold, Arnold L.
• Is Part Of: Journal of coordination chemistry. Volume 70:Issue 7(2017)
• Page Start: 1285
• Page End: 1302
• Publication Date: 2017-04-03
• Subjects: X-ray crystallography -- phosphoric triamide -- hydrogen bond -- symmetry-independent molecule -- Hirshfeld surface analysis; Coordination compounds -- Periodicals; 541.2242
• DOI: 10.1080/00958972.2017.1295139
• Languages: English
• ISSNs: 0095-8972

Abstract

Abstract: The first X-ray crystal structures of coordination compounds of OP[NC4 H8 O]3 phosphoric triamide ( L ) are investigated in Cl2 (CH3 )2 Sn( trans - L )2 (1 ) and [Mn(H2 O)4 ( trans - L )2 ]Cl2 ·2H2 O (2 ) as models of molecular and salt complexes for Hirshfeld surface (HS)-based analysis. The crystal packing of1 includes weak interactions, while in the salt complex2, a 2-D aggregate, along the (001) plane, is mediated by normal O–H⋯Cl and O–H⋯O hydrogen bonds. In the Hirshfeld study, the crystal cohesions of1 and2 are recognized via H⋯H, O⋯H/H⋯O, and Cl⋯H/H⋯Cl contacts. Among these interactions, hydrogen bonds O–H⋯Cl occur in the salt structure of2, as well as some weaker hydrogen interactions as C–H⋯O (1 and2 ), C–H⋯Cl (1 ), and O–H⋯O (2 ). The full fingerprint plots have nearly symmetric shapes for two independent molecules of1, while an asymmetric shape appears for the cationic component of2 . To extract more detailed information on close intermolecular contacts, the molecular surface of the previously reported structure L was also mapped. The structure2 is the first monomeric octahedral Mn(II)–phosphoric triamide complex reported so far. Furthermore, the HS analysis of2 is the first such study on a cation–anion complex structure including phosphoric triamide ligand. Abstract :