• 제목/요약/키워드: X-ray single crystallography

검색결과 72건 처리시간 0.022초

Twist Boat Conformation of Thiane S-Oxide Both in Solid State and in Solution

  • Jeon, Dong-Ju;Kim, Ikyon
    • Bulletin of the Korean Chemical Society
    • /
    • 제29권7호
    • /
    • pp.1369-1373
    • /
    • 2008
  • A stable twist boat conformation of thiane S-oxide 1a in solid state and in solution was unambiguously determined by single crystal X-ray crystallography and solution NMR analyses. On the contrary, the thiane Sdioxide 2 which was obtained from the oxidation of corresponding thiane S-oxide 1a was confirmed to adopt a regular chair conformation.

2,3-Dihydropyrrolo[1,2-b]benzisothiazole 5,5-Dioxide들의 비대칭성 광이성질화 반응 (A New Asymmetric Photoisomerization of 2,3-Dihydropyrrolo[1,2-b]benzisothiazole 5,5-Dioxides)

  • Elghamry, Ibrahim;Dopp, Dietrich
    • 대한화학회지
    • /
    • 제54권6호
    • /
    • pp.727-730
    • /
    • 2010
  • 245 nm mercury lamp를 사용하여 2,3-dihydropyrrolo[1,2-b]benzisothiazole 5,5-dioxide를 광이성질화 반응시켜서 2,3-dihydro[1]benzothieno[3,2-b]pyrrole 4,4-dioxide를 가지고 있는 tricyclic ring system 화합물을 합성하는 방법을 개발하였다. 합성한 화합물들에 대한 구조는 IR, NMR, MS 및 single crystal X-ray crystallography를 이용하여 결정하였다.

화합물 반도체 재료의 결정성장과 특성평가 (Crystal Growth and Characterization of Compound Semiconductor Materials)

  • 민석기
    • 한국결정학회지
    • /
    • 제1권2호
    • /
    • pp.115-125
    • /
    • 1990
  • We have investigated bulk and hetero-epitaxial growth of GaAs single crystal. Various growth techniques such as HB, HZM, and VGF for high quality bulk GaAs were successfully developed by appling the specially designed DM(direct monitoring) furnace. Al GaAs/GaAs superlattice structure and In(x)Ga(1-x) As/GaAs epilayers were also grown by MOCVD and VPE, respectively. The characterization of GaAs single crystals and epilayers was made by X-ray diffraction, Hall effect, PL, chemical etching and angle lapping technique.

  • PDF

사방정계 $Sr_{0.6}Ca_{0.4}CuO_2$ 화합물의 결정구조해석 (Crystal structure analysis of orthohombic $Sr_{0.6}Ca_{0.4}CuO_2$ compound)

  • Park, H.M.;Goetz, D.;Hahn, Th.
    • 한국결정학회지
    • /
    • 제7권1호
    • /
    • pp.20-29
    • /
    • 1996
  • (Sr1-xCax)CuO2 단결정을 융제법으로 제조하고 단결정 X-선 회절법을 이용하여 그 결정구조를 밝혔다. 이 화합물의 결정축계는 사방정계(orthorhombic system)이며, 공간군은 Cmcm(63), 그리고 격자상수 a, b, c는 각각 3.4645Å, 16.1417Å, 3.8727Å이었다. (Sr1-xCax)CuO2 화합물에서 Sr대신 치환되는 Ca이온의 한계를 구조적인 관점에서 연구하였다. 이를 위해 X-선 회절(CAD4), energy dispersive X-ray fluorescence (EDAX) and electron probe micro-analysis (EPMA) 등을 사용하였다. Ca가 치환됨에 따른 Cu-O 결합길이의 변화로부터 Ca의 치환한계를 결정하였는데 그 한계치는 Xca≒0.73이었다.

  • PDF

Ethylenediammonium Monohydric Phosphate의 합성 및 X-선 결정구조 (Synthesis and X-ray Crystal Structure of the Ethylenediammonium Monohydric Phosphate)

  • Tae-Sun Chang;Chong-Hyeak Kim;Deug-Hee Cho;Dong-Koo Lee;Tianyou Song
    • 한국결정학회지
    • /
    • 제13권2호
    • /
    • pp.96-100
    • /
    • 2002
  • (H/sub 3/NCH/sub 2/CH/sub 2/NH/sub 3/)HPO/sub 4/ (Ⅰ) 화합물을 수열법으로 최초로 합성하고 단결정 X-선 회절법으로 구조를 규명하였다. 이 화합물은 단사정계 , 공간군 P2/sub 1//c, a=10.209(1), b=7.891(1), c= 8.039(1) (equation omitted), β= 92.138(9)°, V=: 647.2(2) (equation omitted), Z=4로 결정화되었으며, 1141 개의 독립적인 회절 반점에 대한 최종 신뢰도 인자 R/sub 1/ 및 ωR/sub 2/값은 각각 0.0295 및 0.0811이었다. 화합물 (Ⅰ)은 수소결합으로 연결된 3차원의 그물 구조를 갖는다.

Crystal Structure Analysis of 6-Ethoxy-3-phenyl-5a,9a-dihydro-3H-chromen[4,3-c][1,2]oxazole-3a(4H)-carbonitrile

  • Malathy, P.;Sharmila, P.;Srinivasan, J.;Manickam, Bakthadoss;Aravindhan, S.
    • 통합자연과학논문집
    • /
    • 제9권2호
    • /
    • pp.94-102
    • /
    • 2016
  • The crystal structure of the potential active 6-ethoxy-3-phenyl-5a,9a-dihydro-3H-chromen[4,3-c][1,2]oxazole-3a(4H)-carbonitrile ($C_{19}H_{15}N_2O_3$) has been determined from single crystal X-ray diffraction technique. The title compound crystallizes in the monoclinic space group C2/c with unit cell dimension a= 29.3026(9) ${\AA}$, b= 6.7695(2) ${\AA}$ and c= 19.7597(6) ${\AA}$ [${\alpha}= 90^{\circ}$, ${\beta}= 125.709(10)^{\circ}$ and ${\gamma}= 90^{\circ}$]. Single crystals suitable for X-ray diffraction were obtained by slow evaporation method, the isoxazole and six membered pyran rings adopts envelope conformation. The crystal packing of the molecules is stabilized by the weak $C-H{\ldots}N$ hydrogen bond interaction.

Crystal Structure Analysis of Methyl 8-bromo-3-phenyl-5a,9a-dihydro-3H-chromen [4,3-c][1,2] isoxazole-3a(4H)-carboxylate

  • Malathy, P.;Sharmila, P.;Srinivasan, J.;Manickam, Bakthadoss;Aravindhan, S.
    • 통합자연과학논문집
    • /
    • 제9권2호
    • /
    • pp.103-112
    • /
    • 2016
  • The crystal structure of the potential active Methyl 8-bromo-3-phenyl-5a,9a-dihydro-3H-chromen [4,3-c][1,2] isoxazole-3a(4H)-carboxylate ($C_{18}H_{15}BrNO_4$) has been determined from single crystal X-ray diffraction technique. The title compound crystallizes in the triclinic space group Pī with unit cell dimension a=8.3129 (3) ${\AA}$, b=9.5847 (4) ${\AA}$ and c=11.1463(4) ${\AA}$ [${\alpha}=98.457(3)^{\circ}$, ${\beta}=102.806(2)^{\circ}$ and ${\gamma}=105.033(5)^{\circ}$]. Single crystals suitable for X-ray diffraction were obtained by slow evaporation method, the isoxazole and six membered pyran rings adopts envelope conformation. In the crystal, molecules are linked via pairs of inter molecular $C-H{\ldots}O$ hydrogen bonds to form dimmers.

Crystallographic study of in-plane aligned hybrid perovskite thin film

  • 이린;김세준;성명모
    • 한국진공학회:학술대회논문집
    • /
    • 한국진공학회 2016년도 제50회 동계 정기학술대회 초록집
    • /
    • pp.163.1-163.1
    • /
    • 2016
  • Lead halide perovskites CH3NH3PbX3 (X=Cl, Br, I) have received great interest in the past few years because of their excellent photoelectronic properties as well as their low-cost solution process. Their theoretical efficiency limit of the solar cell devices was predicted around 31% by a detailed balance model for the reason that exceptional light-harvesting and superior carrier transport properties. Additionally, these excellent properties contribute to the applications of optoelectronic devices such as LASERs, LEDs, and photodetectors. Since these devices are mainly using perovskite thin film, one of the most important factor to decide the efficiency of these applications is the quality of the film. Even though, optoelectrical devices are composed of polycrystalline thin film in general, not a single crystalline form which has longer carrier diffusion length and lower trap density. For these reasons, monodomain perovskite thin films have potential to elicit an optimized device efficiency. In this study, we analyzed the crystallography of the in-plane aligned perovskite thin film by X-ray diffraction (XRD) and selected area electron diffraction (SAED). Also the basic optic properties of perovskites were checked using scanning electron microscopy (SEM) and UV-Vis spectrum. From this work, the perovskite which is aligned in all directions both of out-of-plane and in-plane was fabricated and analyzed.

  • PDF

Crystal Structure Analysis of 3-(4-ethylphenyl)-3H-chromeno[4,3-c]isoxazole-3a(4H)-carbonitrile

  • Malathy, P.;Ganapathy, Jagadeesan;Srinivasan, J.;Manickam, Bakthadoss
    • 통합자연과학논문집
    • /
    • 제8권4호
    • /
    • pp.250-257
    • /
    • 2015
  • The crystal structure of the potential active 3-(4-ethylphenyl)-3H-chromeno[4,3-c]isoxazole-3a(4H)-carbonitrile ($C_{19}H_{16}N_2O_2$) has been determined from single crystal X-ray diffraction data. In the title compound crystallizes in the monoclinic space group $P2_1/c$ with unit cell dimension a=6.6869 (8) ${\AA}$, b=15.8326 (19) ${\AA}$ and c= 15.237 (2) ${\AA}$ [${\alpha}=90^{\circ}$, ${\beta}=100.663^{\circ}$ and ${\gamma}=90^{\circ}$]. In the structure chromene, isoxazole and carboxylate are almost coplanar each other. All geometrical parameters revelled that chromene ring of pyran ring adopt sofa conformation. The crystal packing is stabilized by intermolecular C-H...N and C-H...O hydrogen bond interaction.