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Please use this identifier to cite or link to this item: http://hdl.handle.net/10481/33165

Title: 4,7-Phenanthrolinium perchlorate-5-methyl-1,2,4-triazolo[1,5-a]pyrimidin-7(4H)-one-water (1/1/2)
Authors: Caballero Hernández, Ana Belén
Quirós Olozábal, Miguel
Salas Peregrín, Juan Manuel
Issue Date: 2010
Abstract: The asymmetric unit of the title compound, C12H9N2+·ClO4-·C6H6N4O·2H2O, contains a monoprotonated 4,7-phenanthrolinium (47phen) cation, a perchlorate anion balancing its charge, a neutral molecule of 5-methyl-1,2,4-triazolo[1,5-a]pyrimidin-7(4H)-one (HmtpO) and two interstitial water molecules. In the crystal structure, the acidic H atoms of 47phenH+ and HmtpO form strong hydrogen bonds with the water molecules, which in turn act as hydrogen-bond donors, forming links between them and towards the carbonyl O atom of HmtpO, the non-protonated N atom of 47phen+ and one of the O atoms of the anion.
Sponsorship: We acknowledge financial support from the Spanish Ministerio de Ciencia y Tecnología (project CTQ2008–00037/PPQ) and from the Junta de Andalucía (research group FQM 195). ABC is grateful for a FPU grant from the Spanish Ministerio de Educación y Ciencia.
Publisher: International Union of Crystallography
Keywords: Perchlorate
URI: http://hdl.handle.net/10481/33165
ISSN: 1600-5368
Citation: Caballero, A.B.; Quirós, M.; Salas, J.M. 4,7-Phenanthrolinium perchlorate-5-methyl-1,2,4-triazolo[1,5-a]pyrimidin-7(4H)-one-water (1/1/2). Acta Crystallographica Seciton E - Structure Reports Online, 66: O459-O460 (2010). [http://hdl.handle.net/10481/33165]
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