• 한국결정학회지
• /
• 제11권2호
• /
• pp.84-88
• /
• 2000

The crystal of cholesteryl crotylcarbonate was investigated by X-ray diffraction method. Crystallographic data for the title compound: P21, a=13.510(2)Å, b=11.843(2)Å, c=19.882(2)Å, β=106.88(1)°, Z=4. Reflections were collected with an Enraf-Nonius CAD-4 diffractometer equipped with a graphite monochromator. The structure was solved by direct methods and refined by least-squares analyses. The final R value was 0.125 for 2607 reflections. The cholesterol fragment of the title compound were in good agreement with those for related cholesterol derivatives. The molecules were stacked in clearly separated layers. At the center of the layers, there were cholesteryl-cholesteryl interactions between the symmetry-related B molecules and the cholesteryl-C(17) side chain of A molecules. There were also interactions between the C(17) side chain of B molecules and the crotylcarbonate chain in the interface region between layers. The crystal structure of the title compound turned out to be isostructural with those of cholesteryl ethylcarbonate and cholesteryl propylcarbonate.

• Bulletin of the Korean Chemical Society
• /
• 제4권3호
• /
• pp.123-127
• /
• 1983

The crystal structure of metoclopramide, $C_14H_22ClN_3O_2$, has been determined by X-ray diffraction techniques using diffractometer data obtained by the ${\omega}-2{\theta}$ scan technique with Mo $K\alpha$ radiation from a crystal with space group symmetry $P{\overline{1}}$ and unit cell parameters a = 7.500(1), b = 8.707(2), c = 13.292(2) ${\AA}$; ${\alpha}$ = 101.70(2), ${\beta}$ = 81.20(2), and ${\gamma}$ = $114.90(l)^{\circ}$. The sructure was solved by direct methods and refined by full-matrix least-squares to a final R = 0.055 for the 1524 observed reflections. The bent overall-conformation of the molecule seems to be determined mainly by the bifurcated intramolecular hydrogen bond from the amide nitrogen atom to the methoxy oxygen and the amine nitrogen atoms. The crystal packing consists of the hydrogen bonds, ${\pi}-{\pi}$ interaction and hydrophobic interaction.

• Bulletin of the Korean Chemical Society
• /
• 제6권4호
• /
• pp.222-224
• /
• 1985

The crystal structure of sulindac, $C_{20}H_{17}Fo_3S$, one of the nonsteroid antiinflammatory agents, has been determined by the X-ray diffraction techniques using diffractometer data obtained by the $\varpi-2{\theta}$ scan technique with Cu $$K_{\alpha}$$ radiation from a crystal with space group symmetry Pbca and unit cell parameters a = 8.166(1), b = 18.291(8), c = 23.245(10) ${\AA}.$ The structure was solved by direct methods and refined by full-matrix least-squares to a final R = 0.11 for the 1153 observed reflections. The carboxyl group is nearly perpendicular to the indenyl ring as observed in indomethacin. The dihedral angle between the indenyl and phenyl rings is $35^{\circ}while$ the corresponding angle in indomethacin is $67^{\circ}.$ Crystal packing consists of a hydrogen bond and partial ring stacking between the indenyl rings.

• Bulletin of the Korean Chemical Society
• /
• 제22권9호
• /
• pp.948-952
• /
• 2001

Periodic mesoporous organosilicas with rope-based morphology from a reaction gel composition of 1 BTME : 0.57 ODTMABr : 2.36 NaOH : 353 H2O were synthesized. While long rope-shaped product dominated in case of static synthesis condition , gyroid type products instead of rope shaped product appeared and rope shaped product disappeared with agitation. PMO with such a long rope shaped morphology is firstly reported. Additionally, various rope-based morphologies depending on the degree of bending, twisting, folding and winding of rope such as spirals, discoids, toroids, and worm-like aggregates were observed. White powdered products were characterized by X-ray diffraction, N2 sorption measurement, SEM and TEM. From XRD pattern and TEM image, ODTMA-PMO with hexagonal symmetry was identified. The pore diameter and BET surface area of ODTMA-PMO are $32.9{\AA}$ and 799 m2g-1 , respectively. Hexagonally arrayed channels run with long axis of rope and rope-based shapes with various degree of curvature, which was elucidated by using TEM images.

• 한국결정학회지
• /
• 제16권1호
• /
• pp.1-5
• /
• 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.

• 한국재료학회:학술대회논문집
• /
• 한국재료학회 2011년도 춘계학술발표대회
• /
• pp.29.2-29.2
• /
• 2011

B-site substitution with isovalent and donor impurities was compared in terms of the piezoelectric properties of Bi-based ABO3 perovskite ceramics. X-ray diffraction study revealed that both impurities bring about degradation in their ferroelectric properties as well as piezoelectric characteristics. However, there existed a difference between the isovalent and heterovalent impurities that influence a phase transformation of ferroelectric anisotropic-to-electrostrictive pseudocubic symmetry. Based upon analyses including the crystal, microstructure, dielectric, ferroelectric properties, we believed that A-site vacancies in the ABO3 ceramic significantly contribute to a ferroelectric-nonpolar phase transition, which give rise to lead to a giant strains. The present paper will discuss the origin of giant strains in Bi-based perovskite ceramics.

• Bulletin of the Korean Chemical Society
• /
• 제17권5호
• /
• pp.447-452
• /
• 1996

Three conformational isomers of calix[4]arene butanoate were isolated from the reaction of calix[4]arene and butanoyl chloride in the presence of NaH and their structures were determined by NMR spectra as 1,2-alternate 2a, partial cone 2b and 1,3-alternate conformer 2c, respectively. The crystal structure of 2a has been determined by X-ray diffraction method. The crystals are monoclinic, space group C2/c, a=18.435 (4), b=13.774 (2), c=16.941 (3) Å, β=116.23 (1)°, Z=4, V=3858.8 (12)Å3, Dc=1.21 g cm-3, Dm=1.21 g cm-3. The molecule is in the 1,2-alternate conformation. It has two-fold symmetry axis along the line connecting between C (7AA') and C (7BB') parallel to the b axis of crystal lattice.

• 한국결정학회지
• /
• 제15권1호
• /
• pp.29-34
• /
• 2004

Cholesteryl hemisuccinate($C_{31}H_{50}O_4$)의 구조를 X-선 회절법으로 연구하였다. 이 화합물의 결정의 공간군은 $P2_12_12_1$이며, 단위세포내에 결정학적으로 서로 독립적인 4개의 분자들로 구성되어있다. 이들 분자들은 두 개의 분자들이 수소결합으로 결합된 hydrogen-bonded dimer 두쌍을 만들며, 결정내에서 단단히 결합되어있다. 두쌍의 hydrogen bonded dimer들은 각 각 b = 0.0과 b = 0.25 부근에서 head to head 배열을 이루며, c-축에 나란하게 배열되어 있다. 수소결합의 영향으로 결정의 녹는점이 $180^{\circ}C$으로 높다

• Bulletin of the Korean Chemical Society
• /
• 제15권1호
• /
• pp.64-74
• /
• 1994

The nonstoichiometric chalcogenides with NaCl-type structure were prepared and the physical and structural properties were studied. The homogeneous range and the structural change were studied based on X-ray powder diffractions using Rietveld-type full-profile fitting technique. Wide homogeneous ranges were observed in Y-S and Y-Se systems, and relatively narrow homogeneous ranges were observed in Yb-S and Yb-Se systems. Both in $Yb_{1-x}S\;and\;Yb_{1-x}Se$, a vacancy ordering transition occurred in (111) plane direction. The ordered superstructure had cubic symmetry(Fm$\bar{3}m) with doubled unit cell "a" parameter compared to the original NaCl-type. The superlattice developed in a continuous second-order transitiion was characterized by the reduced waved vector k= $(a^*+b^*+c^*)/2$. Y-S system had metallic, and YSe, YbSe system had semiconducting properties in their homogeneous ranges. It was observed that the change of electronic transport properties in extended homogeneous range did not depend on the relativeratio of metal to nonmetal, but on the quantities of vacancies.

• 대한방사선치료학회지
• /
• 제5권1호
• /
• pp.115-119
• /
• 1992

The beam characteristics and dosimetric measurements of the 6MV X-ray and 6MeV electron beam from a ML-6M linear accelerator are examined. The Percent Depth Dose(PDD) table and the tissue Maximum Ratio(TMR) table are taken from measurement as a function of the field size and the depth. The calculated TMR table from PDD table is compared with those from measurement. Other beam characteristics such as output factor, beam profile(including flatness, symmetry and penumbra), wedge, and the variation of Dmax are presented. All of these dosimetric measurements sufficiently characterized the beam to permit safe clinical use.