Publikationsdatum:
2016-02-21
Beschreibung:
The title compound, C15H18ClN5O2, crystallizes with two independent molecules (A and B) in the asymmetric unit. In both molecules, the isoxazolidine rings have an envelope conformation with the O atoms at the flap positions. Each molecule has three stereogenic centres with configurations 2(S), 3(S) and 4(R), confirmed by resonant scattering. Their conformations are significantly different, for example in molecule A the phenyl ring is inclined to the triazole ring by 32.5 (2)°, while in molecule B the corresponding dihedral angle is 10.7 (2)°. In the crystal, the A and B molecules are linked via an N—H...O and a C—H...O hydrogen bond. These units are linked by C—H...O and C—H...N hydrogen bonds, forming slabs parallel to the ab plane. There are C—H...π interactions present within the slabs.
Schlagwort(e):
crystal structure1,3-dipolar cycloadditionisoxazolidinehydrogen bonding
Digitale ISSN:
1600-5368
Thema:
Chemie und Pharmazie
,
Geologie und Paläontologie
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