Nicotinic Acid Hydrochloride의 結晶構造

The Crystal Structure of Nicotinic Acid Hydrochloride

  • 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)
  • 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)
  • 발행 : 19631200

초록

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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