{"database":"biostudies-literature","file_versions":[],"scores":null,"additional":{"omics_type":["Unknown"],"volume":["67(Pt 9)"],"submitter":["Booysen I"],"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."],"journal":["Acta crystallographica. Section E, Structure reports online"],"pagination":["o2436-7"],"full_dataset_link":["https://www.ebi.ac.uk/biostudies/studies/S-EPMC3200829"],"repository":["biostudies-literature"],"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."],"pmcid":["PMC3200829"],"pubmed_authors":["Hosten E","Ismail M","Booysen I","Gerber T","Betz R"],"additional_accession":[]},"is_claimable":false,"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.","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.","dates":{"release":"2011-01-01T00:00:00Z","publication":"2011 Sep","modification":"2025-04-04T08:06:18.988Z","creation":"2019-03-26T23:59:26Z"},"accession":"S-EPMC3200829","cross_references":{"pubmed":["22065128"],"doi":["10.1107/S1600536811033307"]}}