Research Article
Synthesis and Crystal Structure of 2-(Dichloromethyl)-2-(4-nitrophenyl)-1,3-dioxane
Table 1
Crystal and structure refinement for title compound.
| | Item | Value |
| | CCDC | 928570 | | Empirical formula | C11H11Cl2NO4 | | Formula weigh | 292.11 | | Temperature | 293(2) K | | Radiation λ | 0.71073 Å | | Crystal system, space group | Monoclinic, P21/c | | Unit cell dimensions | a = 11.013(2) Å, α = 90° b = 14.653(3) Å, β = 97.06(3)°
c = 7.8693(16) Å, γ = 90° | | Volume | 1260.3(4) Å3 | | Z | 4 | | Calculated density | 1.540 mg/m3 | | Absorption coefficient | 0.520 mm−1 | | F(000) | 600 | | Item | Value | | Crystal size | 0.27 0.10 0.07 mm | | Theta range for data collection | 3.32 to 27.47 deg. | | Range/indices (h, k, l) | −14, 14; −19, 19; −10, 9 | | Reflections collected/unique | 12162/2867 ( = 0.0699) | | Completeness to theta = 27.47 | 99.1% | | Absorption correction and | 0.9645 and 0.8736 | | Data/restraints/parameters | 2867/0/163 | | Goodness-of-fit on | 1.032 | | , w [I > 2σ(I)] | 0.0508, 0.1072 | | , w (all data) | 0.1016, 0.1352 | | Largest diff. peak and hole (eÅ−3) | 0.268 and −0.232 |
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