organic compounds
The title compound, C10H13N3O5, was designed as a potential endothelin receptor antagonist and as a probe of the structural requirements of the endothelin receptor binding site. The isoxazole ring is planar and the cyclononane moiety lies approximately in the plane of the heterocycle. The molecules are packed in the crystal structure by ionic and van der Waals interactions.
organic compounds
The title compound, C10H11N3O2S, was designed and synthesized as a potential antitumour agent and a single-crystal X-ray analysis was undertaken to determine the three-dimensional arrangement of the putative pharmacophoric groups. The central pyrazole ring is exactly planar and the 1-phenyl group has no effect on the π-electron system of the pyrazole nucleus. In contrast, the 5-amino N atom is strongly conjugated with the pyrazole ring such that the flow of the resulting negative charge is in the direction of the 4-sulfonyl O atoms. All of the potential hydrogen-bond donors and acceptors are actually involved in hydrogen bonding.