• Journal of the Korean Chemical Society
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• v.25 no.3
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• pp.131-139
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• 1981

Cholesteryl hexanoate $(C_{33}H_{56}O_2)$, is monoclinic, space group $P2_1$, with a = 12.162(3), b = 9.314(3), c = 13.643(5) ${\AA}$, ${\beta}$ = $93. 55{\circ}(3)$ and two molecules per unit cell. The atomic coordinates from cholesteryl octanoate were used in an initial trial structure using X-ray intensities(Mo $K{\alpha}$ radiation) measured by a diffractometer at room temperature and $-75{\circ}C$. Structure refinement by block-diagonal least squares gave R = 0.129 and 0.105 for room and low temperature experiments respectively. The molecules are arranged in monolayers with their long axes antiparallel and severely tilted. There is a close packing of cholesteryl groups within the monolayers. The crystal structures is very similar to those of cholesteryl octanoate and cholesteryl oleate.

• Journal of the Korean Chemical Society
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• v.34 no.1
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• pp.1-9
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• 1990

Cholesteryl pentanoate $(C_{32}O_2H_{54})$ is orthorhombic, space group $P2_12_12_1$, with a = 21.930(3), b = 21.404(3), c = 6.419(5) $\AA$, Z = 4, V = 3012.8(5)$\AA$$^3$, $D_c$ = 1.04 g$cm^{-3}$, ${\lambda}(Mo\; K{\alpha}$ = 0.71069 $\AA$, $\mu$ = 0.58 $cm^{-1}$, F(000) = 1048, T = 298, R = 0.086 for 1502 unique observed reflections with I > 1.0 $\sigma$ (I). The structure was solved by direct methods and refined by cascade diagonal least-squares refinement. The C-H bond lengths and the methyl groups are fixed and refined as their ideal geometry. A comparison with other cholesteryl esters gives normal structure for the tetracyclic ring, while the tail regions of the side chain and the ester group which stands on end, show a variation from their normal values, presumably due to thermal effects. The molecules are stacked together by non-bonded van der Waals forces with the shortest intermolecular distance of 3.529 $\AA$.

• Journal of the Korean Chemical Society
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• v.29 no.2
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• pp.73-79
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• 1985

The crystal and molecular structure of acetone 4-benzylthiosemicarbazone, $C_{11}H_{15}N_3S$, has been determined by the single crystal X-ray diffraction methods. The crystals are monoclinic, space group $P2_1/c$ with unit cell dimensions, a = 10.249(7), b = 11.403(9), c = 10.149(7)TEX>${\AA}$, ${\beta}$ = 90.9$(1)^0$ and z = 4. The intensities were collected on an automatic four-circle diffractometer with graphite-monochromated Mo-$K_{\alpha}$ radiation. The structure was solved by direct methods and refined by full matrix least-squares methods. The final R was 0.045 for 1554 observed reflections. S-C(8)-N(2)-N(3)-C(9)-C(10) atoms make a zigzag planar chain. There are no unusual bond lengths and angles. There are two independent hydrogen bonds in the crystal structure. One is N-H${\cdots}$S intermolecular hydrogen bond with the length of 3.555${\AA}$ and makes dimer-like units. The other is N-H${\cdots}$N intramolecular hydrogen bond with the length of 2.568${\AA}$. The structure was compared with those of other thiosemicarbazone derivatives.

• Journal of the Korean Chemical Society
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• v.20 no.1
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• pp.19-34
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• 1976

The crystal structure of sodium sulfisoxazole hexahydrate, $C_{11}H_{12}N_3O_3SNa{\cdot}6H_2O$,has been determined by X-ray diffraction method. The compound crystallizes in the monoclinic space group $$P2_1}c$$ with a = 15.68(3), b = 7.70(2), c = 17.94(4)${\AA}$, ${\beta}$ = $118(2)^{\circ}$ and Z = 4. A total of 1717 observed reflections were collected by the Weissenberg method with $CuK{\alpha}$ radiation. Structure was solved by heavy atom method and refined by block-diagonal least-squares methods to the R value of 0.14. The conformational angle formed by the S-C(l) bond with that of N(2)-C(7), when the projection in taken along the S-N(2), is $73^{\circ}.$ The benzene ring is planar and makes an angle of $60^{\circ}$ with the plane of the isoxazole ring, which is also planar. The sodium atom has a distorted octahedral coordination of N(l) and five oxygen atoms from hydrate molecules. Sodium sulfisoxazole hexahydrate shows fourteen different hydrogen bondings in the crystal. These are six $O-H{\cdots}O-H bonds, three $O-H{\cdots}O$ bonds, two $O-N{\cdots}N,$ one $N-H{\cdots}O,O-H{\cdots}N,N-H{\cdots}O-H$ bond, with the distances in the range of 2.71 to $3.04{\AA}.$.

• Journal of the Korean Chemical Society
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• v.38 no.11
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• pp.827-832
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• 1994

The crystal structure of bis(N-methylphenazinium) bis(oxalato)palladate(II) has been determined by X-ray crystallography. Crystal data: ((C_{13}H_{11}N_2)_2[Pd(C_2O_4)_2]) $M_w$ = 672.93, Triclinic, Space Group P1 (No = 2), a = 7.616(8), b = 9.842(3), c = $20.335(7)\AA$, $\alpha$ = 103.53(3), $\beta$ = 90.00(5), $\gamma$ = $112.38(5)^{\circ}$, Z = 2, $V = 1363(2){\AA}^3\;D_c = 1.639\;gcm^{-3},\;{\mu} = 7.3\;cm^{-1},\;F(000) = 680.0$. The intensity data were collected with $Mo-K\alpha$ radiation (${\lambda}$= 0.7107\;\AA)$ on an automatic four-circle diffractometer with a graphite monochromater. The structure was solved by Patterson method and refined by full matrix least-square methods using Killean & Lawrence weights. The final R and S values were $R = 0.069,\;R_w = 0.050,\;R_{all} = 0.069$ and S = 5.45 for 3120 observed reflections. Both cation and anion complexes are essentially planar and have dihedral angles of 6.3(6) and $57.06(6)^{\circ}$ between their planes. The planar complex anions are sandwiched between slightly bent cations. The interplanar separations of two triads are 3.328 and 3.463 $\AA$, respectively. The triads are stacked along b-axis, but their orientations are different based on dihedral angle $59.08(9)^{\circ}$ of two complex anions.

• Korean Journal of Crystallography
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• v.16 no.1
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• pp.38-42
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• 2005

The crystal structure of Bis(ethylenediamine) cuprate(II)$\cdot$dichromate, $Cu(C_2H_8N_2)_2{\cdot}Cr_2O_7$, has been determined by X-ray crystallography. Crystal data: a=5.682(2), b=8.567(3), c=14.839(3) ${\AA},\;{\alpha}=97.50(2),\;{\beta}=101.06(1),\;{\gamma}=109.38(2)^{\circ}$ Triclinic, P-1 (SG No=2), Z=2, V=653.9(2) ${\AA}^3,\;D_c=2.030gcm^{-3},\;{\mu}=3.273mm^{-1}$. The structure was solved by Patterson method and refined by full matrix least-square methods uslng unit weights. The final R and S values were $R_1=0.0256,\;R_w=0.0708,\;R_{all}=0.0316,\;S=1.151$ for the observed 2291 reflections. The two cupper complex ion has the usual distorted octahedral structure with mean four Cu-N distances of 2.010(3) $\AA$ and the longer mean Cu-O distance of 2.525(2) $\AA$. The Cu-complex and dichromate ions are linked to form infinite chain arranged alternatively along the [111]-direction. The neighboring chains in the (0-11) plane are connected with N1-O5 and N3-O1 hydrogen bonds.

• Journal of the Korean Chemical Society
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• v.38 no.4
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• pp.283-287
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• 1994

The crystal stucture of bithional surfoxide, $C_{12}H_6Cl_4O_3S$, has been determined from 2295 independent reflections collected on an automated CAD-4 diffractometer with a graphite-monochromated $Mo-K\alpha$ radiation. The crystal belongs to the monoclinic, space group P2$_1$/n, with a unit cell dimensions a = 12.448(4), b = 9.740(1), c = $11.815(2)\AA$, $\beta$ = $100.06^{\circ}$, $\mu$ = 9.02 cm$^{-1}$, Dm = 1.76 g/cm$^3$, Dc = 1.75 g/cm$^3$, F(000) = 744, and Z = 4. The structure was solved by the direct method and refined by the least-squares method. The final R values was 0.037 for 2295 independent reflections. Overall conformation of the molecule is folded with respect to central surfur atom. Comparing with the molecular conformation of bithional, one of phenyl rings was swinged with about $180^{\circ}.$ This conformational change in the molecule results in the existance of intramolecular-hydrogen bond of S-O(3)---H-O(1) type and its steric hindrance between this moiety and the other phenyl ring. The two best planes of the phenyl rings have a maximum deviation of 0.009 $\AA$ for C(1) atom. The dihedral angle between two phenyl rings is $99.22^{\circ}.$ In the crystal structure, the molecules are packed with intermolecular-hydrogen bond of O(3)---H-O(2).

• Ecology and Resilient Infrastructure
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• v.7 no.3
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• pp.171-180
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• 2020

With the increase in industrialization and urbanization, scarcity of space for leisure life has become an important issue. Opportunities such as natural scenery and ecological experiences provided by waterfront spaces around streams are fundamental factors in the development of the community and creation of a hydrophilic park. In the past, on-site surveys have been conducted using human resources to quantify the number of river visitors, but the accuracy of the results was not sufficient owing to limitations in expenses, manpower, space, and time. In this study, to overcome this problem, we estimated the number of visitors using the location information related to hydrophilic parks. The study areas were Samrak Ecological Park and Daejeo Ecological Park located downstream of the Nakdong River. We compared and analyzed the pattern of the visitors by using the large communication data and the visiting pattern based on GPS location information. The GPS location information is based on Google Popular Times and Kakao visitor data. When the GPS location data were used, the pattern for weekday and weekend visitors was clearer than when the large communication data were used. Therefore, it is expected to be similar to the result of GPS location information if the number of visitors is extracted under the condition of precision of pCELL size and residence time of 30 minutes or more when using future communication big data. In addition, if revisions such as the Personal Information Protection Act are made to extract more accurate data, by estimating the number of visitors based on GPS data, more accurate indicators of the number of visitors can be derived.

• Journal of the Korean Chemical Society
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• v.17 no.2
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• pp.105-114
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• 1973

The crystal structure of morpholinothiosemicarbazide has been determined by single crystal X-ray analysis. The lattice constants are a = 4.19(2), b = 6.56(2) and c = 26.67(4)${\AA}$. The unit cell contains 4 molecules and the space group is$P2_12_12_1$. The atomic parameters have been refined by least-squares method to a final R value of 0.07, based on the 651 observed reflexions. The amino nitrogen atom forms hydrogen bonds to the sulfur atoms of the other molecules related by the two-fold screw axis parallel to the a-axis, the distances of the hydrogen bonds being 3.48 and 3.49${\AA}$. On the other hand, the imino nitrogen atom forms a hydrogen bond to the amino nitrogen atom of the other molecule related by the two-fold screw axis parallel to the a-axis, the distance of the hydrogen bond being 3.04${\AA}$. These three hydrogen bonds arrange the molecules around the two-fold screw axis. Apart from the hydrogen bonding system the structure is held together by van der Waals forces.

• Journal of the Korean Chemical Society
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• v.18 no.5
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• pp.329-340
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• 1974

Sulfadiazine, $C_{10}H_{10}N_4O_2S$, forms monoclinic crystals of space group $P21}c$ from a mixture of acetone and ethanol with $a=13.71{\pm}0.04,\;b=5.84{\pm}0.03,\;c=15.11{\pm}0.05{\AA},\;{\beta}=115.0{\pm}0.3^{\circ}$, and four molecules per cell. Three dimensional photographic data were collected with $CuK\alpha$ radiation. The structure was determined using Patterson and Fourier synthesis methods and refined by block diagonal least-squares methods with isotropic thermal parameter for all non-hydrogen atoms. The final R value was 0.15 for the 1517 observed independent reflections. The dihedral angle between the planes through the benzene ring and the pyrimidine ring is $76^{\circ}$. The conformational angle formed by the projection of the S-C(5) bond with that of N(1)-C(1) where the projection is taken along the S-N(1) bond is $77^{\circ}$. The imino nitrogen atom, N(1), and pyrimidine nitrogen atom, N(3), form intermolecular $N-H{\cdots}N$ hydrogen bond between the molecules related by center of symmetry. Amino nitrogen atom, N(4), forms two intermolecular $N-H{\cdots}O$ hydrogen bonds, with O(1) and O(2) atoms of different molecules separated by b. A two dimensional network of hydrogen bonds form infinite molecular sheets parallel to the (100) plane. Adjacent sheets are bound together by van der Waals forces.