Next Article in Journal
(R,S)-2-{[4-(4-Methoxyphenyl)-5-phenyl-4H-1,2,4-triazol-3-yl] thio}-1-phenyl-1-ethanol
Previous Article in Journal
7-Bromo-[1,2,5]selenadiazolo[3,4-d]pyridazin-4(5H)-one
Short Note

Crystal Structure of 9-Dibenzylsulfide-7,8-dicarba-nido-undecaborane 9-Bn2S-7,8-C2B9H11

1
A.N. Nesmeyanov Institute of Organoelement Compounds, Russian Academy of Sciences, 28 Vavilov Str., 119991 Moscow, Russia
2
Higher Chemical College at the Russian Academy of Sciences, D.I. Mendeleev Russian Chemical Technological University, 9 Miusskaya Sq., 125047 Moscow, Russia
3
Basic Department of Chemistry of Innovative Materials and Technologies, G.V. Plekhanov Russian University of Economics, 36 Stremyannyi Line, 117997 Moscow, Russia
*
Author to whom correspondence should be addressed.
Academic Editor: Kristof Van Hecke
Molbank 2021, 2021(2), M1230; https://doi.org/10.3390/M1230
Received: 15 May 2021 / Revised: 28 May 2021 / Accepted: 2 June 2021 / Published: 7 June 2021
(This article belongs to the Section Structure Determination)
The crystal structure of 9-dibenzylsulfide-7,8-dicarba-nido-undecaborane 9-Bn2S-7,8-C2B9H11 was determined by a single-crystal X-ray diffraction. One of the benzyl groups is located above the open face of the carborane cage with a short H···H distance (2.29 and 2.71 Å for two symmetrically independent molecules) between the BHB-bridging hydrogen atom of the carborane fragment and the ortho-CH group of the aromatic ring. Topological analysis has revealed the existence of a critical bond point with a calculated energy of −0.8 kcal/mol in accordance with an X-ray diffraction molecular geometry. The crystal packing analysis revealed that this benzyl group is also involved in π-stacking interactions, while another benzyl group participates in numerous weak H···π, H···H and van der Waals interactions. View Full-Text
Keywords: nido-carborane; sulfonium derivatives; single-crystal X-ray diffraction; quantum-chemical calculations nido-carborane; sulfonium derivatives; single-crystal X-ray diffraction; quantum-chemical calculations
Show Figures

Figure 1

MDPI and ACS Style

Anufriev, S.A.; Anisimov, A.A.; Sivaev, I.B.; Bregadze, V.I. Crystal Structure of 9-Dibenzylsulfide-7,8-dicarba-nido-undecaborane 9-Bn2S-7,8-C2B9H11. Molbank 2021, 2021, M1230. https://doi.org/10.3390/M1230

AMA Style

Anufriev SA, Anisimov AA, Sivaev IB, Bregadze VI. Crystal Structure of 9-Dibenzylsulfide-7,8-dicarba-nido-undecaborane 9-Bn2S-7,8-C2B9H11. Molbank. 2021; 2021(2):M1230. https://doi.org/10.3390/M1230

Chicago/Turabian Style

Anufriev, Sergey A.; Anisimov, Alexei A.; Sivaev, Igor B.; Bregadze, Vladimir I. 2021. "Crystal Structure of 9-Dibenzylsulfide-7,8-dicarba-nido-undecaborane 9-Bn2S-7,8-C2B9H11" Molbank 2021, no. 2: M1230. https://doi.org/10.3390/M1230

Find Other Styles
Note that from the first issue of 2016, MDPI journals use article numbers instead of page numbers. See further details here.

Article Access Map by Country/Region

1
Search more from Scilit
 
Search
Back to TopTop