NDLI: $(1H-Pyrazole-N^{2})(2,2`:6`,2``-terpyridine-^{3}N,N`,N``)platinum(II)$ bis(perchlorate) nitromethane monosolvate

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$(1H-Pyrazole-N^{2})(2,2`:6`,2``-terpyridine-^{3}N,N`,N``)platinum(II)$ bis(perchlorate) nitromethane monosolvate

Content Provider	World Health Organization (WHO)-Global Index Medicus
Author	Akerman, Matthew Akerman, Kate Jaganyi, Deogratius Reddy, Desigan
Description	Country affiliation: South Africa Author Affiliation: Akerman M ( School of Chemistry, University of KwaZulu-Natal, Private Bag X01, Pietermaritzburg 3209, South Africa. akermanm@ukzn.ac.za)
Abstract	The reaction between [PtCl(terpy)]·2H $_{2}O$ (terpy is 2,2':6',2''-terpyridine) and pyrazole in the presence of two equivalents of AgClO $_{4}$ in nitromethane yields the title compound, [Pt(C $_{3}H$ $_{4}N$ $_{2})(C$ $_{15}H$ $_{11}N$ $_{3})](ClO$ $_{4})$ $_{2}·CH$ $_{3}NO$ $_{2},$ as a yellow crystalline solid. Single-crystal X-ray diffraction shows that the dicationic platinum(II) chelate is square planar with the terpyridine ligand occupying three sites and the pyrazole ligand occupying the fourth. The torsion angle subtended by the pyrazole ring relative to the terpyridine chelate is 62.4 (6)°. Density functional theory calculations at the LANL2DZ/PBE1PBE level of theory show that in vacuo the lowest-energy conformation has the pyrazole ligand in an orientation perpendicular to the terpyridine ligand ( i.e. 90°). Seemingly, the stability gained by the formation of hydrogen bonds between the pyrazole NH group and the perchlorate anion in the solid-state structure is sufficient for the chelate to adopt a higher-energy conformation.
File Format	HTM / HTML
e-ISSN	20532296
Journal	Acta Crystallographica Section C Crystal Structure Communications
Issue Number	Pt 9
Volume Number	67
Language	English
Publisher	IUCr/Wiley
Publisher Date	2011-09-01
Publisher Place	United States
Access Restriction	Open
Subject Keyword	Discipline Analytical Chemistry Discipline Crystallography Organoplatinum Compounds Chemistry Perchlorates Platinum Crystallography, X-ray Hydrogen Bonding Ligands Molecular Structure X-ray Diffraction Research Support, Non-u.s. Gov't
Content Type	Text
Resource Type	Article

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