• Journal of the Korean Chemical Society
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• v.9 no.3
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• pp.134-141
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• 1965

Crystals of nicotine dihydroiodide, are orthorhombic with space group $p2_12_12_1$.The unit cell of dimensions a=7.61, b=11.01, e=17.27${\AA}$, contains four formula units. The structure has been determined by X-ray diffraction method and has been refined to give the R-index, ${\sum}{\mid}{\mid}F_{\circ}{\mid}-{\mid}F_c{\mid}{\mid}{\div}{\sum}{\mid}F_{\circ}{\mid}$, of 0.16 and 0.14 for $F_{okl}\;and\;F_{hol}$ respectively.The mean lengths of C-C and C-N bonds in pyridine ring are 1.40 and $1.35{\AA}$ and those in pyrolidine ring 1.56 and $1.48{\AA}$ respectively, though accurate measurement of bond length has not been attempted. The six atoms in the pyridine ring are coplanar and on the other hand $C_6,\;C_7,\;C_8$ and $N_2$ atoms in pyrrolidine ring form a plane within accuracy of the analysis, and $C_9$ atom is distant $0.22{\AA}$ out of the plane consist of $C_6,\;C_7,\;C_8$ and $N_2$ aoms. The normals to the two planes form an angle of $94^{\circ}$ with each other. Iodine atom is distant $3.55{\AA}$ from nitrogen atom in pyridine ring and the other iodine atom $3.58{\AA}$ from nitrogen atom in pyrrolidine ring, so that the nitrogen and iodine atoms are firmly linked.It seems that the only forces binding nicotine dihydroiodide molecules together in the crystal are Van der Waals forces.

• Journal of radiological science and technology
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• v.29 no.3
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• pp.147-155
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• 2006

The crystal structures of fully dehydrated $K_3Na_8H-A(R_1=0.0478,\;R_2=0.0458\;and\;a=12.257(1){\AA})$ have been studied by single-crystal x-ray diffraction methods in the cubic space group. Pm3m in order to understand the structure of the zeolite as a gas storage medium and the mechanisms based on the encapsulation and decapsulation processes of gas molecules. In the crystal structures of dehydrated $K_3Na_8H-A$, three $K^+$ ions per unit cell are located on the 8-oxygen ring(0.0, 0.4531, 0.4531) and eight $Na^+$ ions per unit cell are located near the centers of 6-oxygen rings. Each $K^+$ ions on the 8-ring is $2.87(2){\AA}$ and $2.79(1){\AA}$ away from two kinds of framework oxygen atoms. These values are more realistic than previously known values in $K_{12}Na-A$. The exact positions of $K^+$ ions are ca. $0.8{\AA}$ away from the centers of the 8-rings which are previously reported as the preferred location of $K^+$ ions. Because the zeolites frameworks are stabilized as the results, more effective controls of gas molecules at encapsulation, decapsulation, and storage are achieved. Additionally, the available storage volumes are also maximized and more volume of gases can be stored in the materials. Therefore, oxygen storage bottles in hospital can be minimized and portable oxygen bottles for patients in emergency can be developed by using the materials.

• Archives of Pharmacal Research
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• v.2 no.2
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• pp.99-110
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• 1979

The crystal structure of sulfapyridine, $C_{11}H_{11}N_{3}O_{2}S$, has been determined by X-ray diffraction method. The compound crystallizees in the monoclinic space group C2/c with a = 12, 80(4), b= 11.72(4), $c= 15.36(5){\AA}, {\beta}= 94(3)^{\circ}$and Z = 8. A total of 1133 observed reflections were collected by the Weissenberg method with CuKaradiation. Structure was solved by the heavy atom method and refined by isostropic block-diagonal least-squares method to the R value of 0.14. The nitrogen in the pyridine ring of sulfapyridine is associated with an extra-annular hydrogen. The C (benzene ring) S-N-C (pyridine ring) group adopts the gauche form with a fonformational angle of $71^{\circ}$. The benzene ring are inclined at angle of $84^{\circ}.to the pyridine ring plane. Sulfapyridine shows three different hydrogen bonding in the crystal. They are two N-H...O hydrogen bonds with the distance of 2.90 and 2.98${\AA}$ respectively, and on N-H...N with the distance of 3.06 ${\AA}$.

• Journal of the Korean Chemical Society
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• v.7 no.4
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• pp.257-263
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• 1963

The crystal structure of nicotinic acid hydrochloride has been determined by two-dimensional x-ray method. The unit cell is monoclinic with a = 7.21 ${\AA}$, b = 6.69 ${\AA}$, c = 7.54 ${\AA}$, ${\beta}=100^{\circ}$, space group $C{\frac{2}{2}}-P2_1$, and contains two formula units. Weissenberg diagrams have been taken along the a, b and c axes with Cu K${\alpha}$ radiation and the positions of the atoms have been fixed by means of two dimensional Patterson syntheses, a Fourier projection along the b-axis and trial and error method. The bond lengths are: pyridine ring C-C = 1.38, 1.39 ${\AA}$, C-N = 1.34, 1.36 ${\AA}$, carboxyl group $C_4-C_6$ = 1.46 ${\AA}$, $C_6-O_1$ = l.33 ${\AA}$, $C_6-O_2$ = 1.19 ${\AA}$. The ring nitrogen atom may be regarded as forming bifurcated hydrogen bond with an oxygen atom $O_2$ of one neighbouring molecule and with a neighbouring chlorine atom, being linked by forming a hydrogen bond with an other oxygen atom $O_1$ of above mentioned neighbouring molecule, in such a way that chains parallel to the c-axis are formed.

• Communications of the Korean Mathematical Society
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• v.37 no.1
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• pp.45-56
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• 2022

In this paper, we introduce and study the class of rings in which every ideal consisting entirely of zero divisors is a d-ideal, considered as a generalization of strongly duo rings. Some results including the characterization of AA-rings are given in the first section. Further, we examine the stability of these rings in localization and study the possible transfer to direct product and trivial ring extension. In addition, we define the class of d_E-ideals which allows us to characterize von Neumann regular rings.

• YAKHAK HOEJI
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• v.54 no.4
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• pp.300-308
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• 2010

Adrenoceptor has been considered to be an important target in psychiatric disorders. Based on x-ray structures of bovine rhodopsin, we established homology model of ${\alpha}_{2c}$-adrenoceptor (ADA2C_rat) and then analyzed docking from binding model of receptor-ligand complex with high-active compound No.29 in tricyclic isoxazole analogues (1-30). We observed that the N (1.907 $\AA$) and O (1.712 $\AA$) atoms of isoxazole ring on the docked ligand (No.29) formed H-bonding interaction with O-H of Ser5.32 and carmeron phenyl ring centroid of tricyclic isoxazole formed $\pi-\pi$ interaction at 3.342 $\AA$ distance with phenyl ring centroid of Phe6.52. According to predictions of blood-brain distribution (logBB) through penetration of blood-brain barrie (BBB) and polar surface area (PSA) of the ligands, the high-active compound No.29 has values of logBB=-0.203, PSA=67.50, respectively. These results suggest that the high-active compound No.29 is a novel anti-depressant with the characteristics such as dopamine and serotonin.

• Journal of Integrative Natural Science
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• v.8 no.4
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• pp.250-257
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• 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.

• Journal of Integrative Natural Science
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• v.8 no.3
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• pp.184-191
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• 2015

The crystal structure of the potential active methyl-3-phenyl-3H-chromeno[4,3-c]isoxazole-3a(4H)-carboxylate ($C_{18}H_{15}NO_4$) has been determined from single crystal X-ray diffraction data. In the title compound crystallizes in the orthorombic space group $P2_12_12_1$ with unit cell dimension $a=9.8320(17){\AA}$, $b=9.9890(18){\AA}$ and $c=15.588(3){\AA}$ [${\alpha}=90^{\circ}$, ${\beta}=90^{\circ}$ 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...O and C-H...N hydrogen bond interaction.

• Korean Journal of Crystallography
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• v.16 no.1
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• pp.1-5
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• 2005

The structure of the title compound has been determined by single-crystal X-ray diffraction work. The crystals are orthorhombic, space group $Pna2_1$ with a=11.095(3), b=21.834(7), c=12.574(4) $\AA$, and R1=0.0667. The average carbon bond length in aromaticity In the molecule is 1.386(1) $\AA$ and the average single bond length linking the central benEene ring and peripheral phenyl rings is 1.491(3) $\AA$. The average dihedral angle between the central benzene ring and each of six peripheral phenyl rings is $67.1(1)^{\circ}$ and the average dihedral angle between neighboring two phenyl rings is $55.0(1)^{\circ}$. Thus the molecule adopts a quasi-propeller configuration with approximate six-fold rotation symmetry.

• Bulletin of the Korean Chemical Society
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• v.26 no.7
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• pp.1090-1096
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• 2005

$Ag_4Br_4$ nanoclusters have been synthesized in about 75% of the sodalite cavities of fully $K^+$-exchanged zeolite A (LTA). An additional KBr molecule is retained in each large cavity as part of a near square-planar $K_4Br^{3+}$ cation. A single crystal of $Ag_{12}$-A, prepared by the dynamic ion-exchange of $Na_{12}$-A with aqueous 0.05 M $AgNO_3$ and washed with $CH_3OH$, was placed in a stream of flowing 0.05 M KBr in $CH_3OH$ for two days. The crystal structure of the product ($K_9(K_4Br)Si_{12}Al_{12}O_{48}{\cdot}0.75Ag_4Br_4$, a = 12.186(1) $\AA$) was determined at 294 K by single-crystal X-ray diffraction in the space group Pm m. It was refined with all measured reflections to the final error index $R_1$ = 0.080 for the 99 reflections for which $F_o\;{\gt}\;4_{\sigma}\;(F_o)$. The thirteen $K^+$ ions per unit cell are found at three crystallographically distinct positions: eight $K^+$ ions in the large cavity fill the six-ring site, three $K^+$ ions fill the eight-rings, and two $K^+$ ions are opposite four-rings in the large cavity. One bromide ion per unit cell lies opposite a four-ring in the large cavity, held there by two eight-ring and two six-ring $K^+$ ions ($K_4Br^{3+}$). Three $Ag^+$ and three $Br^-$ions per unit cell are found on 3-fold axes in the sodalite unit, indicating the formation of nano-sized $Ag_4Br_4$ clusters (interpenetrating tetrahedra; symmetry $T_d$; diameter ca. 7.9 $\AA$) in 75% of the sodalite units. Each cluster (Ag-Br = 2.93(3) $\AA$) is held in place by the coordination of its four $Ag^+$ ions to the zeolite framework (each $Ag^+$ cation is 2.52(3) $\AA$ from three six-ring oxygens) and by the coordination of its four $Br^-$ ions to $K^+$ ions through six-rings (Br-K = 3.00(4) $\AA$).