The Crystal Structure of Methylene Bichloride, CH2Cl2
The Crystal Structure of Methylene Bichloride, CH2Cl2
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二氯甲烷 (CH2Cl2) 的晶体结构
DOI：
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发表时间：
1973
期刊：
影响因子：
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通讯作者：
Tokunosuké Watanabé
中科院分区：
文献类型：
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作者：
Takemi Kawaguchi;Kazuo Tanaka;T. Takeuchi;Tokunosuké Watanabé
二氯甲烷的晶体结构已通过X射线衍射法在约-120℃下测定。该结构具有对称性 D2h14–Pbcn，其斜方四分子晶胞具有以下尺寸：a=4.249±0.001、b=8.138±0.020 和 c=9.492±0.002 A。氯原子和碳原子的位置参数通过三维 Patterson 函数获得，然后进行最小二乘精修 包括氢原子。由此获得的结构与晶格能量计算的结果非常一致。其晶体结构与二溴甲烷（和二碘甲烷）的晶体结构有很大不同。
The crystal structure of methylene dichloride has been determined by the X-ray diffraction method at about −120°C. The structure has a symmetry D2h14–Pbcn, and its orthorhombic tetramolecular cell has these dimensions: a=4.249±0.001, b=8.138±0.020, and c=9.492±0.002 A. The positional parameters of the chlorine and carbon atoms are obtained by a three-dimensional Patterson function, followed by a least-squares refinement including the hydrogen atom. The structure thus obtained is in excellent agreement with the results of lattice-energy calculations. The crystal structure is quite different from that of methylene dibromide (and of methylene diiodide).