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Journal of the Korean Chemical Society (JKCS)

ISSN 1017-2548(Print)
ISSN 2234-8530(Online)
Volume 7, Number 4
August 20, 1963 

The Crystal Structure of Nicotinic Acid Hydrochloride

Nicotinic Acid Hydrochloride의 결정구조
Chung Hoe Koo, Hoon Sup Kim

구정회, 김훈섭
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 Å, b = 6.69 Å, c = 7.54 Å, β = 100°, space group C22-P21, and contains two formula units Weissenberg diagrams have been taken along the a, b and c axes with Cu Kα 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 Å, C-N = 1.34, 1.36 Å, carboxyl group C4-C6 = 1.46 Å, C6-O1 = l.33 Å, C6-O2 = 1.19 Å. The ring nitrogen atom may be regarded as forming bifurcated hydrogen bond with an oxygen atom O2 of one neighbouring molecule and with a neighbouring chlorine atom, being linked by forming a hydrogen bond with an other oxygen atom O1 of above mentioned neighbouring molecule, in such a way that chains parallel to the c-axis are formed.
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