<HashMap><database>biostudies-literature</database><scores/><additional><omics_type>Unknown</omics_type><volume>67(Pt 9)</volume><submitter>Booysen I</submitter><pubmed_abstract>The title compound, C(12)H(14)N(5)O(2) (+)·Cl(-)·H(2)O, is the monohydrate of the hydro-chloride of an oxopurine-derived Schiff base in which protonation took place at the pyridine N atom. The organic cation is essentially planar (r.m.s. of all fitted non-H atoms = 0.0373 Å). In the crystal, N-H⋯O and N-H⋯Cl hydrogen bonds as well as C-H⋯O and C-H⋯Cl contacts connect the different entities into a three-dimensional network. The shortest centroid-centroid distance between two pyrimidine rings is 3.6364 (9) Å.</pubmed_abstract><journal>Acta crystallographica. Section E, Structure reports online</journal><pagination>o2436-7</pagination><full_dataset_link>https://www.ebi.ac.uk/biostudies/studies/S-EPMC3200829</full_dataset_link><repository>biostudies-literature</repository><pubmed_title>2-[(E)-(6-Amino-1,3-dimethyl-2,4-dioxo-1,2,3,4-tetra-hydro-pyrimidin-5-yl)imino-meth-yl]pyridinium chloride monohydrate.</pubmed_title><pmcid>PMC3200829</pmcid><pubmed_authors>Hosten E</pubmed_authors><pubmed_authors>Ismail M</pubmed_authors><pubmed_authors>Booysen I</pubmed_authors><pubmed_authors>Gerber T</pubmed_authors><pubmed_authors>Betz R</pubmed_authors></additional><is_claimable>false</is_claimable><name>2-[(E)-(6-Amino-1,3-dimethyl-2,4-dioxo-1,2,3,4-tetra-hydro-pyrimidin-5-yl)imino-meth-yl]pyridinium chloride monohydrate.</name><description>The title compound, C(12)H(14)N(5)O(2) (+)·Cl(-)·H(2)O, is the monohydrate of the hydro-chloride of an oxopurine-derived Schiff base in which protonation took place at the pyridine N atom. The organic cation is essentially planar (r.m.s. of all fitted non-H atoms = 0.0373 Å). In the crystal, N-H⋯O and N-H⋯Cl hydrogen bonds as well as C-H⋯O and C-H⋯Cl contacts connect the different entities into a three-dimensional network. The shortest centroid-centroid distance between two pyrimidine rings is 3.6364 (9) Å.</description><dates><release>2011-01-01T00:00:00Z</release><publication>2011 Sep</publication><modification>2025-04-04T08:06:18.988Z</modification><creation>2019-03-26T23:59:26Z</creation></dates><accession>S-EPMC3200829</accession><cross_references><pubmed>22065128</pubmed><doi>10.1107/S1600536811033307</doi></cross_references></HashMap>