Synthesis and Characterization of bis[(2-ethyl-5-methyl-imidazo-4-yl)methyl]Sulfide and Its Coordination Behavior toward Cu(II) as a Possible Approach of a Copper Site Type I

Table 1

Crystallographic Data for [Cu(bemims)(NO₃)₂].

Compound	[Cu(bemims)(NO3)2]
Empirical formula	C14H22CuN6O6S
Formula weight	465.98
Colour, habit	Green prism
Crystal size [mm]	0.40 × 0.40 × 0.20
Space group	C 2/c
a [Å]	8.4305(16)
b [Å]	15.354(3)
c [Å]	15.258(3)
β [º]	103.322(8)
V [Å^3]	1921.9(6)
Z	4
𝜌calcd [g.cm^-3]	1.610
𝜇[mm^-1]	1.290
2θ Range [∘]	5.5–52.5
Reflections collected	3976
Independent reflections (𝑅int)	1937 (0.024)
Transmission factors [min., max.]	0.613, 0.772
Final R indices [𝐼>2𝜎(𝐼)] R 1, wR 2	0.034, 0.084
Final R indices (all data) R 1, wR 2	0.040, 0.088
Goodness-of-fit on F ^2	1.057
Data/restraints/parameters	1937/0/134
Largest difference peak/hole [e. Å^-3]	0.445,−0.406

𝑅_int,R ₁ and wR ₂ are defined as follows: 𝑅_int=∑|𝐹²_𝑜−⟨𝐹²_𝑜⟩|/∑𝐹²_𝑜,𝑅₁=∑||𝐹_𝑜|−|𝐹_𝑐||/∑|𝐹_𝑜|,𝑤𝑅₂=∑𝑤(𝐹²_𝑜−𝐹²_𝑐)²/∑𝑤(𝐹²_𝑜)².