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Journal of the Korean Chemical Society (JKCS)

ISSN 1017-2548(Print)
ISSN 2234-8530(Online)
Volume 9, Number 3
June 20, 1965 

The Crystal Structure of p-Phenylenediamine Dihydrochloride

p-Phenylenediamine Dihydrochloride의 결정구조
Chung Hoe Koo, Tae Won Min, Hyun So Sin

구정회, 민태원, 신현조
p-Phenylenediamine dihydrochloride의 결정구조를 X-선 회절버을 이용하여 해명하였다. 이결정은 삼사정계에 속하며, 공간군은 Ci1-Pi 이고, 격자상수는 a= 4.38±0.02, b=5.90±0.02, c=8.76±0.03Å, α=1101±1, β=96±1。이다. 그리고 단위격자속에는 들어있는 화학단윗,Z는 1이다. 각원자의 좌표는 a, b 및 c축에 따른 이차원적인 전자밀도의 팽창 및 (Fo-Fc) 합성에 의하여 얻었다. 이 결정구조와 이미 연구된 aliphatic diamine의 hydrogen halide 들의 구조와를 비교하였다.

The crystal structure of p-phenylenediamine dihydrochloride has been determined from X-ray oscillation and Weissenberg photographs. The crystal is triclinic, space group Ci1-P1-, with cell dimensions a = 4.38±0.02, b = 5.90±0.02, c = 8.76±0.03 Å, α = 110±1, β = 96±1 and γ = 101±1°. There is one molecule in the unit cell. The atomic coordinates were found by means of two-dimensional Fourier projection and (Fo-Fc) projection along the a, b and c axes. The structure of p-phenylenediamine dihydrochloride is discussed in relation to the structures of hexamethylenediamine dihydrochloride, hexamethylenediamine dihydroiodide and ethylenediamine dihydrochloride.

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