Synthesis and Crystal Structure of 1-(4-Nitrobenzyl)-3-allyl-1H-benzo[d]imidazol-2(3H)-one

Table 1

Crystal data and structure refinement for 5.

Empirical formula	C17H15N3O3
Formula weight	309.32
Temperature/K	200.00(10)
Crystal system	Monoclinic
Space group	P21/n
𝑎/Å	7.12148(8)
𝑏/Å	16.12035(17)
𝑐/Å	13.04169(17)
α/°	90.00
β/°	93.3043(11)
γ/°	90.00
Volume/Å^3	1494.71(3)
𝑍	4
𝐷calc/mg/mm^3	1.375
m/mm^−1	0.795
𝐹(000)	648.0
Crystal size/mm^3	0.225 × 0.1759 × 0.07
2Θ range for data collection	8.74 to 146.06
Index ranges	−8 ≤ ℎ ≤ 8, −20 ≤ 𝑘 ≤ 19, −13 ≤ 𝑙 ≤ 16
Reflections collected	14200
Independent reflections	2935[𝑅(int) = 0.0215]
Data/restraints/parameters	2935/0/216
Goodness-of-fit on 𝐹^2	1.070
Final 𝑅 indexes [𝐼 ≥ 2𝜎 (𝐼)]	𝑅1 = 0.0353, 𝑤𝑅2 = 0.0930
Final 𝑅 indexes [all data]	𝑅1 = 0.0394, 𝑤𝑅2 = 0.0962
Largest diff. peak/hole/e Å^−3	0.18/−0.23