6-Methyluracil: a redetermination of polymorph (II)

01 Pubblicazione su rivista
Portalone Gustavo
ISSN: 2414-3146

6-Mehyluracil, C5H6N2O2, exists in two crystalline phases: form (I), monoclinic,
space group P21/c [Reck et al. (1988). Acta Cryst. A44, 417–421]. and form (II),
monoclinic, space group C2/c [Leonidov et al. (1993). Russ. J. Phys. Chem. 67,
2220–2223]. The structure of polymorph (II) has been redetermined providing a
significant increase in the precision of the derived geometric parameters. In the
crystal, molecules form ribbons approximately running parallel to the c-axis
direction through N—H O hydrogen bonds. The radical differences observed
between the crystal packing of the two polymorphs can be responsible in form
(II) for an increase in the contribution of polar canonical forms C—(O
) N—H+ relative to the neutral canonical form C( O)—N—H induced by hydrogenbonding
interactions.

© Università degli Studi di Roma "La Sapienza" - Piazzale Aldo Moro 5, 00185 Roma