Wei-guo Gao
Jan 22, 2016
Citations
0
Influential Citations
0
Citations
Journal
Molecular Crystals and Liquid Crystals
Abstract
ABSTRACT The title compound 1,2-dihydro-3-methylpyrazole-5-one was determined by X-ray crystal structural analysis. The crystals are monoclinic, with space group P2(1)/n with a = 7.968(7), b = 6.502(6), c = 9.986(10) Å, α = 90°, β = 109.995(15)°, γ = 90°, V = 486.1(8) Å3, Z = 4, F(000) = 208, Dc = 1.340 g cm–3, μ = 0.100 mm−1, and the final R = 0.0373 and wR = 0.0961. A total of 4776 reflections were collected, of which 1148 were independent (Rint = 0.0589). In the crystal packing diagram, intermolecular N‒H···O hydrogen bonds and π‒π stacking interactions stabilize the solid state of the title compound.