Publikationsdatum:
2021-03-29
Beschreibung:
The structure of the title compound, C17H18FN3O3 6H2O, has
been redetermined at 120 K. An invariom refinement, a
structural refinement using aspherical scattering factors from
theoretically predicted multipole population parameters,
yields accurate geometry and anisotropic displacement parameters,
including hydrogen-bonding parameters. All potential
hydrogen-bond donors and acceptors are involved in
hydrogen bonding, forming an intricate three-dimensional
network of N—H O and O—H O bonds
Schlagwort(e):
single-crystal X-ray study; T = 120 K; mean (C–C) = 0.001 A° ; R factor = 0.024; wR factor = 0.032; data-to-parameter ratio = 17.1.
;
551
Sprache:
Englisch
Materialart:
article
,
publishedVersion
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