On the Reactivity of N-tert-Butyl-1,2-Diaminoethane: Synthesis of 1-tert-Butyl-2-Imidazoline, Formation of an Intramolecular Carbamate Salt from the Reaction with , and Generation of a Hydroxyalkyl-Substituted Imidazolinium Salt

Table 1

Crystallographic data for 1 and 3.

	1	3
Empirical formula	C7H16N2O2	C11H23ClN2O
Formula weight	160.22	234.76
T/K	100	100
Crystal system	monoclinic	tetragonal
Space group	P21/n	I-4
a/Å	8.3778(12)	14.6891(14)
b/Å	9.2202(12)	14.6891(14)
c/Å	11.8067(18)	13.2031(14)
α/°	90	90
β/°	104.385(8)	90
γ/°	90	90
Volume/Å^3	883.4(2)	2848.8(6)
Z	4	8
g/cm^3	1.205	1.095
μ/mm^−1	0.088	0.250
F(000)	352.0	1024.0
Crystal size/mm^3	0.65 × 0.6 × 0.15	0.3 × 0.2 × 0.2
Radiation	MoKα (λ = 0.71073)	MoKα (λ = 0.71073)
2Θ range for data collection/°	5.386 to 60.266	5.546 to 56.668
Index ranges	-11 ≤ h ≤ 11, -13 ≤ k ≤ 12, -16 ≤ l ≤ 16	-16 ≤ h ≤ 19, -19 ≤ k ≤ 19, -17 ≤ l ≤ 16
Reflections collected	18629	8173
Independent reflections	2583 [, ]	3525 [, ]
Data/restraints/parameters	2583/0/112	3525/0/144
Goodness-of-fit on F^2	1.049	1.030
Final R indexes [I>=2σ (I)]	R1 = 0.0351, wR2 = 0.0891	R1 = 0.0382, wR2 = 0.0840
Final R indexes [all data]	R1 = 0.0426, wR2 = 0.0935	R1 = 0.0454, wR2 = 0.0880
Largest diff. peak/hole (e Å^−3)	0.40/-0.20	0.45/-0.21
Flack parameter	N/A	0.48(3)