Molecular and crystal structures of 3-methyl-3-[1,7-dicarba-closo-dodecaborane(12)-1-oyl-peroxy]-but-1-yne |
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| Authors: | A S Lyakhov L S Ivashkevich A P Yuvchenko T D Zvereva A A Govorova Yu I Petrusevich |
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| Institution: | (1) Research Institute of Physicochemical Problems, Belarussian State University, Leningradskaya ul. 14, Minsk, 220080, Belarus;(2) Institute of Chemistry of New Materials, National Academy of Sciences of Belarus, ul. Kuprevicha 16, Minsk, 220141, Belarus |
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| 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, MoK α 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. |
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