Loose crystals engineered by mismatched halogen bonds in hexachloroethane†,CrystEngComm

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Loose crystals engineered by mismatched halogen bonds in hexachloroethane†
CrystEngComm ( IF 2.6 ) Pub Date : 2017-12-07 00:00:00 , DOI: 10.1039/c7ce01980g
Maciej Bujak _{1,

2,

3,

4} , Marcin Podsiadło _{1,

4,

5,

6} , Andrzej Katrusiak _{1,

4,

5,

6}

Affiliation

Distortions of the directional requirements in halogen⋯halogen contacts between hexachloroethane (HCE), C₂Cl₆, molecules lead to a loose crystal under ambient conditions. Single-crystal X-ray diffraction shows that the orthorhombic HCE phase of space group Pnma, with the molecules in the staggered conformation, extends at least from 85 to 305 K and from 0.1 MPa to 5.42 GPa. At ambient pressure, all intermolecular distances are longer than the sum of van der Waals radii, reached only at the pressure of ca. 1.2 GPa.

中文翻译：

在六氯乙烷中由不匹配的卤素键制成的松散晶体†

六氯乙烷（HCE），C ₂ Cl ₆分子之间的卤素⋯卤素接触的方向要求的扭曲会导致在环境条件下产生疏松的晶体。X射线单晶衍射表明，空间群Pnma的正交HCE相至少具有从85到305 K和从0.1 MPa到5.42 GPa的交错构型的分子。在环境压力下，所有分子间距离都比仅在约200°C的压力下达到的范德华半径之和长。1.2 GPa。

更新日期：2017-12-07

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