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김문집:김영수 순천향대학교 기초과학연구소 2004 순천향자연과학연구 논문집 Vol.10 No.2
The structure of C_(22)H_(18)O_(4) has been determined by X-ray diffraction methods. The crystal system is monoclinic space group P2₁/n, until cell constants, a=16.1011(8)Å ,b=5.9721(5)Å, c=18.3200(9)Å, β=91.91(1)˚, V=1761.38, T=298K, Z=4, Dc=1.306Mgm^(-3). The intensity data were collected on an Enraf-Nonius CAD-4 Diffractometer with graphite monochromated Mo Ka radiation (λ=0.71073Å). The molecular structure was solved by direct methods and refined by full-matrix least squares to a final R=400% for 1940 unique observed F_(0)>4σ(F_(0)) reflections and 235 parameters.
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김문집,전기배 순천향대학교 기초과학연구소 2007 순천향자연과학연구 논문집 Vol.13 No.2
The structure of C_(15)H_(9)O₂NCl₂ has been determined by X-ray diffraction methods. The crystal system is monoclinic, space group P2₁/α, unit cell constants, α = 14.603(l)Å, b = 6.162(1)Å, c = 15.685(1)Å, β = 112.233(6)˚, V = 1306.45(17)ų, T = 293(2)K, Z=4, D_(c)= 1.556Mgm^(-3). The intensity data were collected on an Enraf-Nonius CAD-4 Diffractometer with graphite monochromated Cц Kα radiation (λ = 1.54184Å). The molecular structure was solved by direct methods and refined by full-matrix least squares tu a final R = 7.26% fur 1405 unique observed F_(0)> 4σ(F_(0)) reflections and 181 parameters.
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C₄H_9O_6N(Ammonium Hydrogen D-Tartrate)의결정 구조
김문집,박해윤,박호종 순천향대학교 기초과학연구소 2001 순천향자연과학연구 논문집 Vol.7 No.1
The structure of Ammonium Hydrogen D-Tartrate(C4H9O6N) has been determined by X-ray diffraction methods. The crystals are Orthorhombic, space group P212121, unit cell constants, a=7.6431(7)Å, b=7.8418(5)Å, c= 11.0605(11)Å, α= β= γ=90˚, V=662.92(10)Å3, T= 296(2)K, Z=4, Dc= 1.6744Mgm-3. The intensity data were collected on an Enarf-Noius CAD-4 Diffractometer with graphite monochromated Mo Kα radiation. The molecular structure was solved by direct method and refined by full-matrix least squares to a final R = 3.18% for 682 unique observed F0>4σ(F0) reflections and 137 parameters. The molecular have 8 intermolecular hydrogen bonds.
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X-線 廻折方法에 依한 Sodium Chloride 單結晶의 構造 硏究
金文執,尹和重,徐日煥 충남대학교 자연과학연구소 1981 忠南科學硏究誌 Vol.8 No.1
The procedure for the crystal structure analysis by means of the X-ray powder diffraction method has been shown using the sodium chloride as a sample. The twelve X-ray diffraction intensity peaks for sodium chloride powder were collected rotating 2θhkl. Bragg angle of X-ray diffractometer from 20 to 160 degrees, in which Cu Kα radiation filtered by nickel had been used. For assigning indices of each reflecting plane, the relationship between lattice parameter and interplanar spacing has been used. This result has shown that sodium chloride is face-centered cubic, space group ?? with unit cell dimension a=5.63Å and z=4. The experimental and theoretical integrated intensities of the reflecting planes are in good agreement with each other.
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X-線粉末 廻折法에 의한 Cadmium Sulfide의 精密 格子常數 測定
金文執,徐日煥 순천향대학교 1983 논문집 Vol.6 No.3
In our previous paper the crystallographic structure of cadmium sulfide had been determined. In the present paper we calculated the precise lattice parameter of them. We gave the method of extrapolation a trial for CdS having hexagonal and cubic structures. The final values calculated from the method are A=6.723128 Å, B=4.148240 Å for hexagonal CdS, and A=5.8604 Å for cubic. The correct result has been proved by the good agreement with other reported values.
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C_(30)H_(38)N_(6)Cu₂O₂S₂의 결정 구조
김문집 순천향대학교 기초과학연구소 2006 순천향자연과학연구 논문집 Vol.12 No.2
The structure of C_(30)H_(38)N_(6)Cu_(2)O_(2)S_(2) has been determined by X-ray diffraction methods. The crystal system is Thclinic, space group P1￣, unit cell constants, a =9.6791 (9 )A˚, b=18.1347(14)A˚, c=9.6785(6)A˚, α=98.700(5)˚, β=116.5.30(6)˚, γ=87.290(7)˚, V=1517.6(2)A˚, T=295(2)K, Z=2, D_(c)=1.545Mgm^(-3). The intensity data were collected on an Enraf-Nunius CADU4 Diffractometer with graphite monochromated Mo Ka. radiation (λ=0.71073 A˚). The molecular structure was solved by direct methods and refined by full-matrix least squares to a final R=4.99% for 4093 unique observed F_(0) > 4σ (F_(0)) reflections and 417 parameters.
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김문집,신준철 한국결정학회 1995 韓國結晶學會誌 Vol.6 No.2
1-Cyclopropyl-7-(2,7-diazabicyclo[3.3.0]oct-4-en-7-yl)-6-fluoro-8-methoxy-4-oxo-1,4-dihydroquinoline-3-carboxylic acid (HCI salt)의 분자 및 결정 구조를 X-선 회절법으로 연구하였다. 이 결정의 분자식은 C20H21N3O4FCl(이하 CDD), 결정계는 단사정계이고 공간군은 C2/c이다. 단위포상수 a=28.349(2)Å, b=11.941(2)Å, c=12.806(2)Å이며 β=96.428(9)°, V=4307.8Å3, T=296(2)K, Z=8이다. 구조해석에 사용한 X-선은 CuKα선(λ=1.5418Å)을 사용하였다. 분자구조는 직접법으로 풀었으며, 최소자승법으로 정밀화하였다. 최종 신뢰도 R값은 F0>4σ(F0)인 2258개의 독립 회절데이타에 대해 R=4.96%이었다. 이 분자는 내부수소결합 O(28)-H(28)…O(25) [2.517(4)Å, 156.7(447)°]를 가지고 있으며, 분자간의 결합은 van der Waals 힘으로 결합되어 있다. The crystal structure of 1-Cyclopropyl-7-(2,7-diazabicyclo[3.3.0]oct-4-en-7-yl)-6-fluoro-8-methoxy-4-oxo-1,4-dihydroquinoline-3-carboxylic acid (HCI salt) has been determined from single crystal x-ray diffraction study ; C20H21N3O4FCl, Monoclinic, C2/c, a=28.349(2)Å, b=11.941(2)Å, c=12.806(2)Å, β=96.428(9)°, V=4307.8Å3, T=296(2)K, Z=8, CuKα(λ=1.5418Å). The molecular structure was solved by direct method and refined by full-matrix least squares to a final R=4.96% for 2258 unique observed F0>4σ(F0) reflections and 293 parameters. The conformation of the molecule is stabilized by an intramolecular O(28)-H(28)…O(25) [2.517(4)Å, 156.7(447)°] hydrogen bond. Intermoleculars distances correspond to van der Waals contacts.
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김문집,신준철 한국결정학회 1995 韓國結晶學會誌 Vol.6 No.2
1-Ethyl-1,4-dihydro-7-methyl-1,8-naphthyridin-4-one-3-carboxylic acid [Nalicixic Acid]의 분자 및 결정구조를 X-선 회절법으로 연구하였다. 이 결정의 분자는 C12H12N2O3, 단사정계이고 공간군은 P21/c이다. 단위포상수 a=8.910(2)Å, b=13.145(3)Å, c=9.370(3)Å 이며, β=100.06(2)°, V=1080.6Å, T=293K, Z=4이다. 구조해석에 사용한 X-선은 CuKα선(λ=1.5418Å)을 사용하였다. 분자구조는 직접법으로 풀었으며 최소자승법으로 정밀화하였다. 최종 신뢰도 R값은 [F0>4σ(F0)]인 1555개의 독립회절반점에 대해 R=0.055이었다. 이 분자는 한 개의 내부수소결합 O(17)-H(17)…O(14)를 가지고 있다 [2.525(2)Å, 144.3(10)°]. The crystal structure of -Ethyl-1,4-dihydro-7-methyl-1,8-naphthyridin-4-one-3-carboxylic acid [Nalicixic Acid] has been determined from single crystal X-ray diffraction study; C12H12N2O3, monoclinic, P21/c, a=8.910(2)Å, b=13.145(3)Å, c=9.370(3)Å, β =100.06(2)°, V=1080.6Å, T=293K, Z=4, CuKα(λ=1.5418Å). The molecular structure was solved by direct method and refined by full-matrix least squares to a final R=0.055 for 1555 unique observed [F0>4σ(F0)] reflections and 166 parameters. The conformation of the molecule is stabilized by an intramolecular O(17)-H(17)…O(14) hydrogen bond [2.525(2)Å, 144.3(10)°].
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