Acta Cryst. (2013). C69, 1563-1566 [ doi:10.1107/S010827011303196X ]
Abstract: The title 1,4-naphthoquinone, 2-dichloromethyl-3-methyl-1,4-dihydronaphthalene-1,4-dione, C12H8Cl2O2, is a chlorinated derivative of vitamin K3, which is a synthetic compound also known as menadione. Molecules of (I) are planar and lie on a crystallographic mirror plane (Z' = 0.5) in the space group Pnma. They are connected to each other by C-HO hydrogen bonds, forming two-dimensional layers parallel to the ac plane. In addition, ClCl and - interactions link adjacent molecules in different layers, thus forming zigzag ribbons along the b axis, such that a three-dimensional architecture is generated.
CCDC reference: 973339
Keywords: crystal structure; 1,4-naphthoquinones; halogen bond; anticancer activity; C-HO hydrogen bonding; vitamin K3 derivative.
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