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In the mol-ecule of 6,8-dimeth-oxy-3-methyl-1 H -isochromen-1-one, C 12 H 12 O 4 , ( I ), the two meth-oxy groups are directed anti with respect to each other. In the mol-ecule of the brom-inated derivative, 5-bromo-6,8-dimeth-oxy-3-methyl-1 H -isochromen-1-one, that crystallized as a chloro-form monosolvate, C 12 H 11 BrO 4 ·CHCl 3 , ( II·CHCl 3  ), the meth-oxy groups are directed syn to each other. In the crystal of I , mol-ecules are linked by bifurcated C-H⋯O hydrogen bonds, forming chains along the c -axis direction. The chains are linked by C-H⋯π inter-actions, forming a supra-molecular framework. In the crystal of II·CHCl 3  , mol-ecules are linked by C-H⋯O hydrogen bonds forming 2 1 helices parallel to the b -axis direction. The chloro-form solvate mol-ecules are linked to the helices by C-H⋯O(carbon-yl) hydrogen bonds. The helices stack up the c -axis direction and are linked by offset π-π inter-actions [inter-centroid distance = 3.517 (3) Å], forming layers parallel to the (100) plane. Compound II·CHCl 3  was refined as a two-component twin. Two chlorine atoms of the chloro-form solvate are disordered over two positions and were refined with a fixed occupancy ratio of 0.5:0.5.

acta crystallographica. section e, crystallographic communications

Crystal structures and Hirshfeld surface analyses of 6,8-dimethoxy-3-methyl-1<i>H</i>-isochromen-1-one and 5-bromo-6,8-dimethoxy-3-methyl-1<i>H</i>-isochromen-1-one chloroform monosolvate

Crystal structures and Hirshfeld surface analyses of 6,8-dimethoxy-3-methyl-1H-isochromen-1-one and 5-bromo-6,8-dimethoxy-3-methyl-1H-isochromen-1-one chloroform monosolvate