Abstract
In the crystal structure of the title compound [systematic name: 1-ethyl-6-fluoro-4-oxo-7-(piperazin-4-ium-1-yl)-1,4-dihydroquinoline-3-carboxylate sesquihydrate], C16H18FN3O3·1.42H2O, N—H⋯O and O—H⋯O hydrogen bonds assemble the molecules in a two-dimensional layered corrugated sheet structure parallel to the b axis. The water molecules are disordered [occupancies 0.741 (11) and 0.259 (11)].
Highlights
Birla Institute of Technology, Department of Pharmaceutical Sciences, Mesra, Ranchi 835 215, India, and bGVK Biosciences Private Limited, S-1, Phase-1
As part of our interest in polymorphs and hydrates of NF, we have investigated the crystal structure of NF sesquihydrate, (I)
H···O hydrogen bonds, forming two-dimensional corrugated sheets parallel to b axis. These sheets are linked together by the water molecules which act as acceptors of H atoms, assembling the molecules in an infinite two-dimensional network (Fig. 2)
Summary
H atoms treated by a mixture of independent and constrained refinement max = 0.37 e Å3. Birla Institute of Technology, Department of Pharmaceutical Sciences, Mesra, Ranchi 835 215, India, and bGVK Biosciences Private Limited, S-1, Phase-1. Key indicators: single-crystal X-ray study; T = 298 K; mean (C–C) = 0.004 Å; disorder in solvent or counterion; R factor = 0.081; wR factor = 0.218; data-toparameter ratio = 12.8. In the crystal structure of the title compound [systematic name: 1-ethyl-6-fluoro-4-oxo-7-(piperazin-4-ium-1-yl)-1,4dihydroquinoline-3-carboxylate sesquihydrate], C16H18FN3O31.42H2O, N—H O and O—H O hydrogen bonds assemble the molecules in a two-dimensional layered corrugated sheet structure parallel to the b axis. The water molecules are disordered [occupancies 0.741 (11) and
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