Table 2. Experimental details.
Crystal data | |
Chemical formula | C9H10N2O4 |
M r | 210.19 |
Crystal system, space group | Monoclinic, C2/c |
Temperature (K) | 173 |
a, b, c () | 14.4803(15), 11.4054(11), 13.0936(13) |
() | 116.341(8) |
V (3) | 1937.9(4) |
Z | 8 |
Radiation type | Mo K |
(mm1) | 0.12 |
Crystal size (mm) | 0.25 0.25 0.10 |
Data collection | |
Diffractometer | Rigaku Mercury375R |
Absorption correction | Multi-scan (REQAB; Rigaku, 1998 ▸) |
T min, T max | 0.840, 1.000 |
No. of measured, independent and observed [I > 2(I)] reflections | 8409, 1759, 1348 |
R int | 0.045 |
(sin /)max (1) | 0.601 |
Refinement | |
R[F 2 > 2(F 2)], wR(F 2), S | 0.037, 0.098, 1.06 |
No. of reflections | 1759 |
No. of parameters | 176 |
H-atom treatment | All H-atom parameters refined |
max, min (e 3) | 0.21, 0.17 |