A. Lyakhov, L. Ivashkevich, A. P. Yuvchenko
Nov 1, 2001
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Journal
Crystallography Reports
Abstract
The crystal and molecular structures of 3-methyl-3-[1,7-dicarba-closo-dodecaborane(12)-1-oylperoxy]-but-1-yne (I) are determined by X-ray diffraction analysis (Nicolet R3m automated diffractometer, MoKα radiation, θ/2θ scan mode). It is found that the compound crystallizes in the orthorhombic crystal system, space group P212121. The unit cell parameters are as follows: a = 7.355(2) Å, b = 9.773(3) Å, c = 21.938(7) Å, and Z = 4. The structure is solved by the direct method and refined to R = 0.0658. The structural features of the molecule and the C-H⋯O contacts in the structure are discussed.