Soave Raffaella, Colombo Pietro
Istituto di Scienze e Tecnologie Molecolari, Consiglio Nazionale delle Ricerche, Via C. Golgi, 19, I-20133 Milano, Italy.
Acta Crystallogr C. 2013 Dec 15;69(Pt 12):1563-6. doi: 10.1107/S010827011303196X. Epub 2013 Nov 30.
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-H···O hydrogen bonds, forming two-dimensional layers parallel to the ac plane. In addition, Cl···Cl and π-π interactions link adjacent molecules in different layers, thus forming zigzag ribbons along the b axis, such that a three-dimensional architecture is generated.
标题化合物1,4 - 萘醌，2 - 二氯甲基 - 3 - 甲基 - 1,4 - 二氢萘 - 1,4 - 二酮，化学式为C₁₂H₈Cl₂O₂，是维生素K₃的一种氯化衍生物，维生素K₃是一种合成化合物，也被称为甲萘醌。（I）的分子是平面的，位于空间群为Pnma的晶体学镜面（Z' = 0.5）上。它们通过C - H···O氢键相互连接，形成平行于ac平面的二维层。此外，Cl···Cl和π - π相互作用连接不同层中的相邻分子，从而沿着b轴形成锯齿状带，进而产生三维结构。
