Research Article
Synthesis and Crystal Structure of N-Dichloroacetyl-3,4-dihydro-3-methyl-6-chloro-2H-1,4-benzoxazine
Table 1
Crystal and structure refinement for the title compound.
| | Empirical formula | C11H10Cl3NO2 | | Formula weight | 294.55 | | Temperature (K) | 293(2) | | Crystal system | Monoclinic | | Space group | | | Radiation () | 0.71073 | | () | 6.7619(14) | | () | 24.866(5) | | () | 9.737(3) | | (°) | 90 | | (°) | 130.982(18) | | (°) | 90 | | () | 1235.9(5) | | 4 | | 600 | | Density (calc.) (mg/m3) | 1.583 | | Crystal size (mm3) | 0.33 × 0.30 × 0.22 | | Absorption coefficient (mm−1) | 0.729 | | Theta range for data collection (°) | 3.13–27.45 | | Range/indices (, , ) | −8, 8; −32, 32; −12, 11 | | Reflections collected/unique | 11955/2840 ( = 0.0512) | | Completeness to theta = 27.47 | 99.9% | | Absorption correction and | 0.8585 and 0.7971 | | Data/restraints/parameters | 2840/0/155 | | Goodness-of-fit on | 1.106 | | , [] | 0.0476, 0.1274 | | , (all data) | 0.0613, 0.1330 | | (e) | 0.953 | | (e) | −0.653 |
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