Open Access8‐Methyl‐5‐oxo‐5,6‐dihydrodipyrido[1,2‐ a :3′,2′‐ e ]pyrimidin‐11‐ium chloride trihydrate 120 K
Author(s) -
Howie R. Alan,
Lima Ferreira Marcelle de,
Souza Marcus V. N. de,
Vasconcelos Thatyana R. A.,
Wardell Solange M. S. V.,
Wardell James L.
Publication year - 2005
Publication title -
acta crystallographica section e
Language(s) - English
Resource type - Journals
ISSN - 1600-5368
DOI - 10.1107/s1600536805031521
Subject(s) - chloride , medicinal chemistry , chemistry , organic chemistry
In the structure of the title salt, C 12 H 10 N 3 O + ·Cl − ·3H 2 O, the only species which do not coincide with the mirror plane in the space group P 6 3 / m are one complete water molecule, one H atom of another water molecule and two H atoms of the methyl group of the cation. Consequently, apart from the two H atoms of the methyl group, the cation is completely planar. The hydrogen bonding between the water molecules and, through Cl − anions, to the cations, although extensive, can be modelled satisfactorily only by treating one H atom in each of the two types of water molecules as disordered.