Korean Journal of Crystallography (한국결정학회지)

Korean Crystallographic Association (한국결정학회)
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The Crystal Structure of N-(Diphenylmethylene) aminomethylphosphonate

N-(Diphenylmethylene)aminomethylphosphonate의 결정 구조

  • Published : 2002.06.01
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Abstract

The structure of N-(Diphenylmethylene)aminomethylphosphonate has been determined by X-ray diffraction methods. The crystal system is triclinic, space group P(equation omitted), unit cell constants, a＝8.967(2) (equation omitted), b＝9.309(2) (equation omitted), c＝ 10.981(2) (equation omitted), α＝101.42(2)°, β＝92.22(2)°, γ＝92.23(2)°, V=896.8(3) (equation omitted), T＝296 K, Z＝2, D/sub c/＝1.227 Mgm/sup -3/. The intensity data were collected on an Enraf-Nonius CAD-4 Diffractometer with graphite monochromated MoKα radiation (λ＝0.7107(equation omitted)). The molecular structure was solved by direct methods and refined by full-matrix least-squares to a final R＝7.3% for 979 unique observed F/sub o/>4σ(F/sub o/) refections and 209 parameters.

X-선 회절법을 이용하여 N-(Diphenylmethylene)aminomethylphosphonate의 결정 구조를 규명하였다. 이 결정의 결정계는 삼사정계이며 공간군은 P(equation omitted)이다. 단위포 상수는 a＝8.967(2) (equation omitted), b＝9.309(2) (equation omitted), c＝ 10.981(2) (equation omitted), α＝101.42(2)°, β＝92.22(2)°, γ＝92.23(2)°, V=896.8(3) (equation omitted), T＝296 K, Z＝2, D/sub c/＝1.227 Mgm/sup -3/이다. 회절반점들의 세기는 Enraf-Nonius CAD-4 Diffracto-meter로 얻었으며 MoKα선(λ＝0.7107(equation omitted))을 사용하였다. 분자 구조는 직접법으로 풀었으며, F/sub o/>4σ(F/sub o/)인 979개의 독립 회절 데이터에 대하여 최소자승법으로 209개의 변수를 정밀화하여 최종 신뢰도 값 R＝7.3%을 얻었다.

Keywords

References

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