Table 2. Experimental details.
Crystal data | |
Chemical formula | C14H12Br4N2 |
M r | 527.86 |
Crystal system, space group | Monoclinic, P21/n |
Temperature (K) | 153 |
a, b, c () | 8.1219(4), 4.4962(2), 21.5327(9) |
() | 96.706(3) |
V (3) | 780.95(6) |
Z | 2 |
Radiation type | Mo K |
(mm1) | 10.30 |
Crystal size (mm) | 0.30 0.20 0.08 |
Data collection | |
Diffractometer | Bruker APEXII CCD area detector |
Absorption correction | Multi-scan (SADABS; Bruker, 2007 ▸) |
T min, T max | 0.148, 0.493 |
No. of measured, independent and observed [I > 2(I)] reflections | 6211, 1356, 1213 |
R int | 0.034 |
(sin /)max (1) | 0.597 |
Refinement | |
R[F 2 > 2(F 2)], wR(F 2), S | 0.023, 0.057, 1.05 |
No. of reflections | 1356 |
No. of parameters | 99 |
No. of restraints | 2 |
H-atom treatment | H atoms treated by a mixture of independent and constrained refinement |
max, min (e 3) | 0.52, 0.29 |