Research Article
Synthesis and Characterization of 3-(1-((3,4-Dihydroxyphenethyl)amino)ethylidene)-chroman-2,4-dione as a Potential Antitumor Agent
Table 1
Crystal data and structure refinement of 3·MeOH.
| | Compound | 3·MeOH |
| | Empirical formula | C20H21NO6 | | Formula weight | 371.38 | | Temperature | 120(2) K | | Wavelength | 1.54184 Å | | Crystal system | Triclinic | | Space group | P-1 | | Unit cell dimensions | a = 7.9449(3) Å | α = 82.538(3)° | | b = 8.8742(3) Å | β = 82.296(3)° | | c = 13.1920(5) Å | γ = 70.039(3)° | | Volume | 862.79(6) Å3 | | Z; density (calculated) | 2; 1.430 g·cm-3 | | Absorption coefficient | 0.883 mm-1 | | F(000) | 392 | | Crystal shape, color | Prism, white | | Crystal size | 0.311 × 0.201 × 0.072 mm3 | | θ range for data collection | 3.395–67.361° | | Index ranges | -9 ≤ h ≤ 6, -10 ≤ k ≤ 10, -15 ≤ l ≤ 15 | | Reflections collected/independent | 8977/3086 [R(int) = 0.0226] | | Absorption correction | Analytical | | Max. and min. transmission | 0.938 and 0.841 | | Data/restraints/parameters | 3086/0/262 | | Goodness-of-fit on F2 | 1.034 | | Final R indices [I > 2σ(I)] | R1 = 0.0342, wR2 = 0.0876 | | R indices (all data) | R1 = 0.0398, wR2 = 0.0924 | | Largest diff. peak and hole | 0.226; -0.255 e.Å-3 |
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