• Archives of Pharmacal Research
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• v.7 no.2
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• pp.115-120
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• 1984

The crystals of bromhexine-HCl, $C_{14}$ H$_{21}$ N$_{2}$Br$_{2}$Cl, are orthohombic, space group Pca2 with a = 14.598(2)A, b=12.461(3)A, c =9 9.186(1) A and Z = 4. Intensity dat for 967 reflections (Fobs > 6.sigma.(F)) were collected on a Rigaku-Denki automatic four circle diffractometer. The structure was solved by the Patterson and Fourier methods. Refinements were carried out to the final R value of 0.082. The cyclohexane ring has a normal chair form and the benzene ring is planar. There are three independenet hydrogen bounds in the structure. One is an intermolecular hydrogen bond (N-H... Cl) and the others are intramolecular hydrogen bonds (N-H...Br, N$^{+}$-H...Cl$^{[-10]}$ ) Apart from the hydrogen bounding system the molecules are held together in the crystal by van der Waals force.e.

• Proceedings of the Materials Research Society of Korea Conference
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• 1999.05a
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• pp.125-125
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• 1999

• Journal of the Mineralogical Society of Korea
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• v.15 no.2
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• pp.140-144
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• 2002

The sample environment at high temperature for the four circle diffractometer at HANARO in Korea Atomic Energy Research Institute is developed. The performance test was carried out for a structurally known sample through the high temperature experiment with this equipment. In this study we found out that the developed sample environment is stable for a long time experiment at over 900 K. By the neutron diffraction from a single crystal of $LiTaO_3$(phase transition temperature about 900 K) at 298 and 913 K, the lithium atomic positions at both temperatures and disordered state of lithium atom at high temperature were confirmed. These are hardly possible to determine by the conventional X-ray diffraction method.

• Korean Journal of Crystallography
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• v.4 no.1
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• pp.49-51
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• 1993

The knowledge on the number of necessary and collectable reflections for the crystal structure analysis is greatly helpful in choosing the conditions for X-ray intensity data collection using automatic four circle diffractometer. In this paper, we represent a method to calculate the total unmber of collectable intensity date in an asymmetric unit.

• Archives of Pharmacal Research
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• v.5 no.2
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• pp.79-86
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• 1982

Sulfisoxazole, $C-{11}H_{13}N_{3}S$, crystallized in the orthohombic system, space group Pbca, with a = 14.492(1), b = 11.563(1), c = 14.900(2) $\AA$ and Z = 8. Intensities for 1867(1360 observed) unique reflections were measured on a four-circle diffractometer wirh CuKa radiation ($\lambda$ = 1.5418$\AA$). The structure was solved by heavy atom methods and refined by full-matrix least-squares procedures to a final R of 0.094. The benzene ring plane makes an angle of $68^{\circ}C$ with the plane of the isoxazole ring, which is plannar. The conformational angle formed by the torsional angle C(4)-S-N(2)-C(7) is $54^{\circ}C$. There are two intermolecular hydrogen bonds in the structure. One of them is of the type N-H...H with the length 2.915$\AA$. Thus two dimensional networks of hydrogen bonds form infinite moelcular sheets parallel to the (001) plane. Adjacent sheets are bound together by van der Waals forces.

• Journal of the Korean Chemical Society
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• v.34 no.1
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• pp.29-36
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• 1990

Cholesteryl pentyl carbonate $(C_{33}H_{56}O_3)$ is monoclinic, space group P21, with a = 12.484(3), b = 9.043(3), c = 14.053(3)$\AA$, ${\beta} = 94.12(2)^{\circ}$ and z = 2. The intensity data were measured for the 2969 reflections within sin $\theta/\lambda = 0.52 {\AA}^{-1}$, using an automatic four--circle diffractometer and graphite monochromated Mo-K$\alpha$ radiation. The atomic coordinates from cholesteryl octanoate were used in an initial trial structure and the structure was refined by full-matrix least squares methods. The final R-factor was 0.12 for 1164 observed reflections. The pentyl group has shortened bond lengths due to the high thermal vibrations in this region. Adjacent molecules are related by $2_1$ screw axis so that they are arranged in an antiparallel array, corresponding to the Monolayer Type II packing mode. There are close packings of cholesteryl groups within the monolayers. This packing type is similar to those of cholesteryl hexanoate, octanoate, hexyl carbonate and oleate.

• Journal of the Mineralogical Society of Korea
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• v.20 no.4
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• pp.351-356
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• 2007

The crystal structure of $Li(ND_4)SO_4$ was analyzed by X-ray and neutron diffraction methods. The crystal is a deuterated $Li(NH_4)SO_4$ and one of the ferroelectric materials with hydrogen atoms. The crystal is orthorhombic at room temperature, $P2_1nb$, with lattice parameters of $a=5.2773(5)\;{\AA},\;b=9.1244(23)\;{\AA},\;c=8.7719(11)\;{\AA}$ and Z=4. Neutron intensity data were collected on the Four-Circle diffractometer (FCD) at HANARO in Korea Atomic Energy Research Institute and X-ray date were given by Prof. Y. Noda of Tohoku University Japan. The structure was refined by full-matrix least-square to final R value of 0.070 for 1450 observed reflections by X-ray diffraction and to final R=0.049 for 745 observed reflections by neutron diffraction. With X-ray data we obtained only one hydrogen atomic position. However, not only all atomic positions of four hydrogen atoms at $NH_4$ but also the occupation factors of D and H were refined with neutron data. From this results we obtained the average chemical structure of this sample, $LiND_{3.05}H_{0.95}SO_4$.

• The Korean Journal of Ceramics
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• v.5 no.4
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• pp.368-370
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• 1999

Using DC faced target sputtering method we grow AIN the films on the $Al_2O_3$(0001) substrate with varying thickness(17$\AA$-1000$\AA$). We measured x-ray diffraction(XRD) profiles by synchrotron radiation($\lambda$=1.12839 $\AA$) with four circle diffractometer. The full width half maximum(FWHM) of rocking curve for the AIN (0002) diffraction of the film grown at $500^{\circ}C$ was $0.029^{\circ}$. Also, we confirmed that the stress between AIN thin film and $Al_2O_3$(0001) substrate was reduced as increasing AIN film thickness, and the critical thickness of 400~500 $\AA$, defined as a lattice constant in the film agrees with that in a bulk without stress, was obtained.

• Journal of the Korean Ceramic Society
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• v.12 no.3
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• pp.8-12
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• 1975

The crystal structure of synthetic magnesite has been studied by X-ray method. Magnesite is trigonal R3c, with a=4.637$\AA$, c=15.023$\AA$ and Z=6. Intensity data were collected with a Rigaku automated four-circle diffractometer and Mo-K$\alpha$ radiation. The structure was refined by the full-matrix least squares method using anisotropic thermal parameters. The final R index for 234 reflections is 0.037. The C-O and Mg-O bond lengths were 1.283 and 2.105$\AA$, respectively. The interatomic angles of three kinds of O-Mg-O were 88.25, 91.75 and 180.00$^{\circ}$, respectively. It is clarified that the distortion of the Mg-O6 octahedron in magnesite is smaller than that of Ca-O6 in calcite.

• Archives of Pharmacal Research
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• v.11 no.1
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• pp.74-79
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• 1988

Crystals of tolazamide, $C_{14}H_{21}N_3O_3S$, are triclinic space group $P{\bar{1}}$ with cell dimensions of a = 6.355 (2), b = 9.223 (2), c = 13.510 (3) A, ${\alpha}\;=\;101.04\;(8),\;{\beta}=92.80(5),\;{\gamma}\;=\;85.72\;(6)^{\circ}$ and Z = 2. Intensities were collected on an automated four-circle diffractometer using graphite-monochromated Cu K ${\alpha}$ radiations. The structure was solved by direct method and refined by full-matrix least-squares to an R factor of 0.058 for 1184 observed reflections. The molecules are dimerized by the $N-H{\cdots}O$ hydrogen bonds. There are only van der Waals interactions between these molecular dimers.