Synthesis, Structure, and Antifungal Activities of 3-(Difluoromethyl)-Pyrazole-4-Carboxylic Oxime Ester Derivatives

Table 1

Crystal data of compound 5d.

Name	5d
Empirical formula	C14H13F2N3O2
Formula weight	293.27
Temperature/K	296 (2)
Crystal system	Monoclinic
Crystal size/mm^3	0.36 × 0.34 × 0.32
Space group	C2/c
a/Å	16.6161 (11)
b/Å	15.7963 (9)
c/Å	12.9160 (8)
α/°	90
β/°	124.693 (2)
γ/°	90
Volume/Å	2787.4 (3)
Z	8
ρcalcg/cm^3	1.398
μ/mm^−1	0.114
F (000)	1216.0
Radiation	MoKα (λ = 0.71073)
2^Θ range for data collection/°	5.964 to 54.944
Index ranges	-21 ≤ h ≤ 21, -20 ≤ k ≤ 20, -16 ≤ l ≤ 16
Reflections collected	32252
Independent reflections	3192 [R int = 0.0505, Rsigma = 0.0285]
Data/restraints/parameters	3192/0/192
Goodness-of-fit on F^2	1.046
Final R indexes (I ≥ 2σ (I))	R1 = 0.0491, wR2 = 0.1243
Final R indexes (all data)	R1 = 0.0763, wR2 = 0.1394
Largest diff. peak/hole/e Å^−3	0.23/-0.24