Molecular Structure of B10H12(CH3CN)2

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Abstract
An x‐ray diffraction study of single crystals of B10H12 (CH3CN)2 has yielded the positions of all atoms, including hydrogen atoms. The structure is regarded as a substitution derivative of the B10H14 —2structure having C 2v symmetry, two bridge hydrogens and two BH2 groups. A B–N single bond replaces a B–H of each BH2 group and the acetonitrile residue is linear with normal bond distances, except for C–CH3=1.45 A in agreement with C–CH3=1.46 in acetonitrile itself. The unit cell is monoclinic, of symmetry I2/c, and has parameters a=7.81, b=11.31, c=14.18, and β=96°52′. Final values of R=0.15 and r=0.12 were obtained, as described in the text.

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