Synthesis and Crystal Structure of 6-Bromo-2-(furan-2-yl)-3-(prop-2-ynyl)-3H-imidazo[4,5-b]pyridine

Table 1

Crystal data and structure refinement for compound 1.

Empirical formula	C13H8BrN3O
Formula weight	302.13
Temperature/K	199.95 (10)
Crystal system	Monoclinic
Space group	𝑃21/𝑛
a/Å	4.39655 (19)
b/Å	13.5720 (5)
c/Å	20.0471 (5)
β/°	94.753 (3)
Volume/Å^3	1192.10 (7)
Z	4
𝐷calc  mg/mm^3	1.683
m/mm^−1	4.629
F (000)	600.0
Crystal size/mm^3	0.141 × 0.125 × 0.088
2Θ range for data collection	7.88 to 145.74°
Index ranges	−5 ≤ h ≤ 4, −16 ≤ k ≤ 16, −24 ≤ l ≤ 24
Reflections collected	11229
Independent reflections	2362 [R(int) = 0.0455]
Data/restraints/parameters	2362/0/163
Goodness-of-fit on 𝐹^2	1.201
Final R indexes [𝐼≥2𝜎(𝐼)]	𝑅1 = 0.0389, w𝑅2 = 0.1052
Final R indexes [all data]	𝑅1 = 0.0488, w𝑅2 = 0.1092
Largest diff. peak/hole/e Å^−3	0.47/−0.38