Synthesis and Crystal Structure of 1-Methyl-3-(2-pyridyl)imidazolium Hexafluorophosphate

Table 1

Crystal data and data collection parameters for the compound (MeIMPy)(PF₆).

Identification code	1
Empirical formula	C9H10N3F6P
Formula weight	305.17
Temperature	100(2) K
Crystal system, space group	Monoclinic, 𝑃2(1)/𝑐
Unit cell dimensions	𝑎=7.3740(8) Å
	𝑏=15.5931(16) Å
	𝑐=10.4787(11) Å
	𝛽=105.310(2)°
Volume	1162.1(2) Å^3
𝑍, calculated density	4, 1.744 mg/m^3
Absorption coefficient	0.305 mm^−1
𝐹(000)	616
Crystal size	0.07×0.04×0.01 mm^3
𝜃 range for data collection	2.40 to 28.31°
Index ranges	−9≤ℎ≤9, −20≤𝑘≤20, −8≤𝑙≤13
Reflections collected	7402
Independent reflections	2885 [𝑅(int) = 0.0189]
Completeness to theta	98.0%
Data/restraints/parameters	2826/0/173
Goodness-of-fit on F^2	1.190
Final 𝑅 indices [𝐼>2(𝐼)]^a	𝑅1 = 0.0446^a,  𝑤𝑅2 = 0.1119
𝑅 indices (all data)	𝑅1 = 0.0592^a, 𝑤𝑅2 = 0.1611^b
Largest diff. peak and hole	0.526 and −0.691 e·Å^−3

^a∑‖Fo|−|Fc|/∑|Fo|,  ^b√∑[𝑤(Fo²−Fc²)²]/√𝑤(Fo²)².