The Crystal Structure of Nicotinic Acid Hydrochloride

Nicotinic Acid Hydrochloride의 結晶構造

  • Chung Hoe Koo (Department of Chemistry, College of Liberal Arts and Science, Seoul National University) ;
  • Hoon Sup Kim (Department of Chemistry, College of Liberal Arts and Science, Seoul National University)
  • 구정회 (서울大學敎 文理科大學 化學科) ;
  • 김훈섭 (서울大學敎 文理科大學 化學科)
  • Published : 19631200

Abstract

The crystal structure of nicotinic acid hydrochloride has been determined by two-dimensional x-ray method. The unit cell is monoclinic with a = 7.21 ${\AA}$, b = 6.69 ${\AA}$, c = 7.54 ${\AA}$, ${\beta}=100^{\circ}$, space group $C{\frac{2}{2}}-P2_1$, and contains two formula units. Weissenberg diagrams have been taken along the a, b and c axes with Cu K${\alpha}$ radiation and the positions of the atoms have been fixed by means of two dimensional Patterson syntheses, a Fourier projection along the b-axis and trial and error method. The bond lengths are: pyridine ring C-C = 1.38, 1.39 ${\AA}$, C-N = 1.34, 1.36 ${\AA}$, carboxyl group $C_4-C_6$ = 1.46 ${\AA}$, $C_6-O_1$ = l.33 ${\AA}$, $C_6-O_2$ = 1.19 ${\AA}$. The ring nitrogen atom may be regarded as forming bifurcated hydrogen bond with an oxygen atom $O_2$ of one neighbouring molecule and with a neighbouring chlorine atom, being linked by forming a hydrogen bond with an other oxygen atom $O_1$ of above mentioned neighbouring molecule, in such a way that chains parallel to the c-axis are formed.

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References

  1. Acta cryst. v.6 W.B. Wright;G.S.D. King
  2. J.Sci. Instrum. v.25 G. H. Goldschmidt;G. T. Pitt
  3. Z. Krist. v.90 A.L. Patterson
  4. Phys. Rev. v.46 A.L. Patterson
  5. Acta cryst. v.2 A.L. Patterson
  6. J. Am. Chem. Soc. v.61 V.Schomaker;L.Pauling
  7. J. Chem. Phys. v.4 D. Harker
  8. Z. Krist v.95 W.L. Bragg;H. Lipson
  9. Proc. Roy. Soc. v.A 188 A.D. Booth
  10. Acta cryst. v.4 no.81 W. Cochran
  11. Nature, (London) v.150 A.J.C. Wilson