Table 3.

Compound 1 crystal data and structure refinement.

Unit cell dimensions	a = 6.2985(6) Å
	b = 13.1101(13) Å β = 94.612(5)°
	c = 21.4570(18) Å
Volume	1766.1(3) Å3
Space group	P21/c
Z	4
Density (calculated)	1.442 mg.m-3
Absorption coefficient	0.114 mm-1
F(000)	800
Crystal size	0.09 × 0.14 × 0.33 mm3
Theta range for data collection	2.458 to 25.495°
Index ranges	− 7 ≤ h ≤ 7, − 15 ≤ k ≤ 15, − 25 ≤ l ≤ 25
Reflections collected	17,023
Independent reflections	3285 [Rint = 0.0289]
Completeness to theta = 25.242°	99.9%
Data/restraints/parameters	3285/0/262
Goodness-of-fit on F2	1.047
Final R indices [I > 2 sigma(I)]	R1 = 0.0384, wR2 = 0.1005
R indices (all data)	R1 = 0.0480, wR2 = 0.1074
Largest diff. peak and hole	0.339 and − 0.338 e Å−3