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.
Similar content being viewed by others
References
Yu. A. Ol’dekop, S. F. Naumova, L. A. Churkina, et al., USSR Inventor’s Certificate No. 681068 (1977), Byull. Izobret., No. 31 (1979).
L. A. Churkina, S. F. Naumova, T. D. Zvereva, et al., Vestsi Akad. Navuk BSSR, Ser. Khim. Navuk, No. 3, 125 (1981).
L. A. Churkina, S. F. Naumova, T. D. Zvereva, et al., Vestsi Akad. Navuk BSSR, Ser. Khim. Navuk, No. 3, 108 (1982).
A. P. Yuvchenko, A. Ya. Markina, N. R. Prokopchuk, et al., Zh. Prikl. Khim. (St. Petersburg) 71(3), 472 (1998).
R. Grimes, Carboranes (Academic, New York, 1970; Mir, Moscow, 1974).
T. D. Zvereva, A. P. Yuvchenko, and N. A. Zhukovskaya, Zh. Obshch. Khim. 62(4), 855 (1992).
A. Altomare, M. C. Burla, M. Camalli, et al., J. Appl. Crystallogr. 32, 115 (1999).
G. M. Sheldrick, SHELX97: Program for the Solution and Refinement of Crystal Structures (Univ. of Göttingen, Göttingen, Germany, 1997).
L. J. Farrugia, J. Appl. Crystallogr. 30, 565 (1997).
F. H. Allen and O. Kennard, Chem. Des. Autom. News 8(1), 31 (1993).
G. R. Desiraju and T. Steiner, The Weak Hydrogen Bond in Structural Chemistry and Biology (Oxford Univ. Press, Oxford, 1999).
Author information
Authors and Affiliations
Additional information
__________
Translated from Kristallografiya, Vol. 46, No. 6, 2001, pp. 1054–1056.
Original Russian Text Copyright © 2001 by Lyakhov, Ivashkevich, Yuvchenko, Zvereva, Govorova, Petrusevich.
Rights and permissions
About this article
Cite this article
Lyakhov, A.S., Ivashkevich, L.S., Yuvchenko, A.P. et al. Molecular and crystal structures of 3-methyl-3-[1,7-dicarba-closo-dodecaborane(12)-1-oyl-peroxy]-but-1-yne. Crystallogr. Rep. 46, 971–973 (2001). https://doi.org/10.1134/1.1420829
Received:
Issue Date:
DOI: https://doi.org/10.1134/1.1420829