Citation:
ZHOU Bao-Han, HUA Yun-Tao, XU Bao-Ming, MA Li, HU Jia-Wen, LIU Zhao-Jie. Syntheses, Crystal Structures and Antifungal Activities of Two Compounds Containing Pyrazole and Pyrethroid Units[J]. Chinese Journal of Structural Chemistry,
;2015, 34(8): 1231-1237.
doi:
10.14102/j.cnki.0254-5861.2011-0717
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Compounds 1 (C15H17ClF3N3O3, Mr=379) and 2 (C14H14ClF3N4OS, Mr=378) have been synthesized and their crystal structures were determined by single-crystal X-ray diffraction. Crystal 1 belongs to the triclinic system, space group P1 with a=6.0223(19), b=9.324(3), c=15.936(5)Å, α=80.687(5), β=87.289(5), γ=86.097(5)°, V=880.4(5)Å3, Z=2, Dc=1.433 g/cm3, μ(MoKα)=0.266 mm-1, F(000)=392, R=0.0861 and wR=0.1999 for 2022 observed reflections with I>2σ(I). Crystal 2 belongs to the triclinic system, space group P1 with a=7.7029(15), b=8.3371(16), c=14.410(3)Å, α=100.672(3), β=103.168(3), γ=98.726(3)°, V=876.1(3)Å3, Z=2, Dc=1.451 g/cm3, μ(MoKα)=0.379 mm-1, F(000)=388, R=0.0672 and wR=0.2105 for 2725 observed reflections with I>2σ(I). Although the two compounds are similar with the same pyrazole and pyrethroid units, X-ray analysis reveals that their structures are completely different.
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Keywords:
- pyrazole,
- crystal structures,
- synthesis,
- antifungal activities
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