Journal of Chemistry / 2015 / Article / Tab 1

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 formulaC11H10Cl3NO2
Formula weight294.55
Temperature (K)293(2)
Crystal systemMonoclinic
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/unique11955/2840 ( = 0.0512)
Completeness to theta = 27.4799.9%
Absorption correction and 0.8585 and 0.7971
Data/restraints/parameters2840/0/155
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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