Abstract
The crystal structure of the title compound, C7H10N3B, has been determined by X-ray diffraction using CuKα radiation. The crystals are monoclinic,P21/c witha=6.941(2),b=15.961(3),c=7.739(2) Å,β=90.5(2)° andZ=4. The structure was solved by direct methods, and refined by full matrix least squares to a finalR-value of 056 with 833 observed reflections. The molecule is in the elongated form, but is not planar; the torsion angle C(2)-N(1)-B-C(8) is 82.9(4)°. The bond distances N(1)-B=1.587(5) Å; B-C(8)=1.586(6) Å; C(8)≡N(3)=1.134(5) Å. The B-C-N moiety is slightly [176.9(4)°] nonlinear. The molecules are linked by weak hydrogen bonds N(2)-H(1N)⋯N(3), N(2)-N(3)=3.055(5) Å and N(2)-H(2N)N(3), N(2)-N(3)=3.165 Å.
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References
Cromer, D. T., and Waber, J. J. (1965)Acta Crystallogr. 18, 104.
Das, M. K., and Mukherjee, P. (1985)J. Chem. Res. (S), 66.
Das, M. K., and Mukherjee, P. (1987)J. Chem. Res. (S), 368.
Das, M. K., and Mukherjee, P. (1987)J. Chem. Res. (M), 2981.
Das, M. K., and Maiti, P. K. (1990)Inorg. Chem. Act. 172, 35.
Hall, I. H., Gilbert, C. J., Mcphail, A. T., Morse, K. W., Hasset, K., and Spielvogel, B. F. (1985)74, 755.
Greenwood, N. N., and Earnshaw, A. (1984)Chemistry of the elements, Pergamon Press, p. 337.
Johnson, C. K. (1976)ORTEPII, Report ORNL-5138 (Oak Ridge National Laboratory, Tenn.).
Mcphail, A. T., and Mcfadden, D. L. (1975)J. Chem. Soc. Dalton Trans. 1784.
Mcphail, A. T., Onan, K. D., Spielvogel, B. F., and Wisian-Neilson, P. (1978)J. Chem. Res. (S), 205.
Muetterties, E. L. (1967), The chemistry of boron and its compounds. (Wiley, New York), p. 514.
Sheldrick, G. M. (1985)SHELXS-86. Program for crystal structure determination. (Univ. of Gottingen, Germany).
Sheldrick, G. M. (1976)SHELXS-76. Program for crystal structure determination. (Chambridge, England).
Spielvogel, B. F., Wojnowich, L. Das, M. K., Mcphail, A. T., and Hargrave, K. D. (1976)J. Am. Chem. Soc. 98, 5702.
Spielvogel, B. F., Das, M. K., Mcphail, A. T., and Onan, K. D.,J. Am. Chem. Soc. 102, 6343.
Stewart, R. F., Davidson, E. R., and Simpson, W. T. (1965)J. Chem. Phys. 42, 3175.
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Mukhopadhyay, A., Maiti, P.K., Das, M.K. et al. Crystal and molecular structure of (2-amino-4-methyl-1-pyridinio) cyanoborane. Journal of Crystallographic and Spectroscopic Research 23, 465–468 (1993). https://doi.org/10.1007/BF01182519
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DOI: https://doi.org/10.1007/BF01182519