• Title/Summary/Keyword: R/C structure

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Crystal structure of 1-tert-butoxycarbonyl-4-[N-(tert-butoxycarbonyl)-N-(ethoxycarbonylmethyl)amino]-3-phenylsulfonylpyrrolidind (1-tert-butoxycarbonyl-4-[N-(tert-butoxycarbonyl)-N-(ethoxycarbonylmethyl)amino]-3-phenylsulfonylpyrrolidind의 결정구조해석)

  • 조소라;김문집
    • Korean Journal of Crystallography
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    • v.6 no.1
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    • pp.27-35
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    • 1995
  • The crystal structure of 1-tert-butoxycarbonyl-4-[N-(tert-butoxycarbonyl)-N-(ethoxycarbonylmethyl)amino]-3-phenylsulfonylpyrrolidind [C24H36O8N2S] has been from single crystal x-ray diffraction study ; C24H36O8N2S triclinic, p1, a=11.363(8)Å, b=11.589(6)Å, c=11.013(10)Å,α=95.32(6)°,β=98.64(7)°,γ=79.57(5)°,V=1406.8(18)Å3, t=293K, Z=2, CuKα(λ=1.5418Å). The molecular structure was solved by diredt method and refined by full-matrix least squares to a final R=9.78% for 3621 unique observed [F≥4σ(F)] reflections and 703 paramenters.

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Crystal Structure of Nalidixic Acid (Nalidixic Acid의 결정구조)

  • 김문집;신준철
    • Korean Journal of Crystallography
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    • v.6 no.2
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    • pp.98-102
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    • 1995
  • The crystal structure of -Ethyl-1,4-dihydro-7-methyl-1,8-naphthyridin-4-one-3-carboxylic acid [Nalicixic Acid] has been determined from single crystal X-ray diffraction study; C12H12N2O3, monoclinic, P21/c, a=8.910(2)Å, b=13.145(3)Å, c=9.370(3)Å, β =100.06(2)°, V=1080.6Å, T=293K, Z=4, CuKα(λ=1.5418Å). The molecular structure was solved by direct method and refined by full-matrix least squares to a final R=0.055 for 1555 unique observed [F0>4σ(F0)] reflections and 166 parameters. The conformation of the molecule is stabilized by an intramolecular O(17)-H(17)…O(14) hydrogen bond [2.525(2)Å, 144.3(10)°].

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The Rietveld Structure Refinement of Natural Phlogopite Using Neutron Powder Diffraction (중성자분말회절법을 이용한 금운모 결정에 대한 리트벨트 구조분석)

  • 이철규;송윤구;전철민;김신애;성기훈
    • Journal of the Mineralogical Society of Korea
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    • v.16 no.3
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    • pp.215-222
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    • 2003
  • The Rietveld structure refinement for the natural trioctahedral mica, phlogopite-1M (Parker Mine, Quebec, Canada) has been done by high resolution neutron powder diffraction at $25^{\circ}C$ and -263$^{\circ}C$. The structural formula of phlogopite determined by electron probe microanalysis is $K_2$(M $g_{4.46}$F $e_{0.83}$A $l_{0.34}$ $Ti_{0.22}$)(S $i_{5.51}$A $l_{2.49}$) $O_{20}$(O $H_{3.59}$ $F_{0.41}$). Cell parameters are a=5.30∼5.31 $\AA$, b=9.18∼9.20 $\AA$, c=10.18∼10.21 $\AA$, $\beta$=100.06∼100.08$^{\circ}$. Refinements converged to R values in the range of $R_{p}$=2.35%, $R_{wp}$=3.01%, respectively. In this study, the OH bond length is calculated to 0.93 $\AA$ at room temperature and 1.03 $\AA$ at -263$^{\circ}C$, and the angles between OH vector and (001) plane are obtained 93.4$^{\circ}$∼93.6$^{\circ}$. The decrease in the length of OH with the increase in temperature should be due to the hydrogen bonding in the structure of phogopite.e.e.f phogopite.e.e.

Structure and Electrical Properties of 0.85NaNbO3-0.15LiNbO3 Ceramics (0.85NaNbO3-0.15LiNbO3 세라믹스의 구조 및 전기적 특성)

  • Jeon, Chang Jun;Jeong, Young Hun;Yun, Ji Sun;Nam, Joong Hee;Paik, Jong Hoo;Cho, Jeong Ho
    • Journal of Sensor Science and Technology
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    • v.23 no.2
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    • pp.105-109
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    • 2014
  • Structure and electrical properties of $0.85NaNbO_3-0.15LiNbO_3$ ($(Li_{0.15}Na_{0.85})NbO_3$) ceramics were investigated as a function of sintering temperature. $(Li_{0.15}Na_{0.85})NbO_3$ ceramics were prepared by conventional solid state processing. A main phase of the orthorhombic perovskite structure and secondary phase of $LiNbO_3$ were confirmed for all sintered specimens. Dense $(Li_{0.15}Na_{0.85})NbO_3$ ceramics were obtained at sintering temperature above $1050^{\circ}C$. With increasing sintering temperature, the electromechanical coupling factor ($k_p$), piezoelectric constant ($d_{33}$) and relative dielectric constant (${\varepsilon}_r$) of the sintered specimens increased, while the mechanical quality factor ($Q_m$) decreased. These results are due to the increase of grain size and crystallite size of orthorhombic perovskite structure. Based on the temperature dependence of ${\varepsilon}_r$, stable piezoelectric properties were expected because no phase transition found up to $300^{\circ}C$. Typically, kp of 18%, $d_{33}$ of 34.7 pC/N, ${\varepsilon}_r$ of 135, and $Q_m$ of 62.8 were obtained for the specimens sintered at $1200^{\circ}C$ for 5 h.

The Crystal Structure of Bis(N-Methylphenazinium) Bis(Oxalato)Palladate(Ⅱ) (Bis(N-Methylphenazinium) Bis(Oxalato)Palladate(Ⅱ)의 결정구조)

  • Kim, Se Hwan;NamGung, Hae;Lee, Hyeon Mi
    • 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.

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Curvature Properties of 𝜂-Ricci Solitons on Para-Kenmotsu Manifolds

  • Singh, Abhishek;Kishor, Shyam
    • Kyungpook Mathematical Journal
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    • v.59 no.1
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    • pp.149-161
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    • 2019
  • In the present paper, we study curvature properties of ${\eta}$-Ricci solitons on para-Kenmotsu manifolds. We obtain some results of ${\eta}$-Ricci solitons on para-Kenmotsu manifolds satisfying $R({\xi},X).C=0$, $R({\xi},X).{\tilde{M}}=0$, $R({\xi},X).P=0$, $R({\xi},X).{\tilde{C}}=0$ and $R({\xi},X).H=0$, where $C,\;{\tilde{M}},\;P,\;{\tilde{C}}$ and H are a quasi-conformal curvature tensor, a M-projective curvature tensor, a pseudo-projective curvature tensor, and a concircular curvature tensor and conharmonic curvature tensor, respectively.

Crystal Structure of N[1(benzotriazol-1-yl)butyl]-p-nitroaniline (N-[1-(benzotriazol-1-yl)butyl]-p-nitroaniline의 구조)

  • Jo, So-Ra;Kim, Mun-Jip;Seong, Nak-Do
    • Korean Journal of Crystallography
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    • v.5 no.2
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    • pp.78-84
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    • 1994
  • The crystal structure of N-11-(benzotriazol-1-yl)butyl]-P-nitroaniline ( C16H17N502) has been determinedfromsingle crystal x-ray diffractionstudy:C16H17N502 monoclinic, P21/n, a=17542(2)A, b=10.755(3)A, c=8.891(1)A, β=104.58(1)˚, V=1623.4(5)A3, 7=293(2)K, Z=4, Cuka(A = 1.5418A) , The molecular structure was solved was by direct meshed refined by full-matrix least squares to a final R =0.0411 for 2248 unique observed [F≥4o(p) ] reflections and 255 Parameters. The crystal structure is stabilized by intermolecular N (11) -Hl 1 (Nl 1) ‥‥N (3) hydrogen bond with N(11) ‥‥ N(3) =3.136(2)A and N(11)-Hll(Nll)‥‥N(3) =164.1(15) ˚.

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The Crystal Structure of Bis(ethylenediamine)palladium(II)-Bis(oxalato)palladate(II) (Bis(ethylenediamine)palladium(II)-Bis(oxalato)palladate(II)의 결정구조)

  • Go, Gi-Yeong;Nam, Gung-Hae;Han, Sang-Gon
    • Korean Journal of Crystallography
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    • v.9 no.1
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    • pp.71-76
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    • 1998
  • Crystal structure of Bis(ethylenediamine)palladium(II)-Bis(oxalato)palladate(II0 has been determined by X-ray crystallography. Crystal data : (Pd(C2H8N2)2.Pd(C2O4)2), Fw=509.04, Monocline, Space Group P21/c (no=14), a=6.959(2), b=13.506(2), c=15.339(2) Å, β=99.94(3), Z=4, V=1420 Å3, Dc=2.380 gcm-3, μ=25.46cm-1, F(000)=992. The intensity data were collected with Mo-Kα radiation (λ=0.7107 Å) 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 unit weights. The final R and S values were R=0.021, Rw=0.030, Rall=0.032 abd S=2.1 for 1472 observed reflections. The essentially planar complex anions form diade of interplanar distances of 3.41 Å and their diads are stacked along aaxis with interplanar separation of 3.44 Å.

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Structure-Activity Relationships of 13- and 14-Membered Cyclic Partial Retro-Inverso Pentapeptides Related to Enkephalin

  • Hong, Nam-Joo
    • Bulletin of the Korean Chemical Society
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    • v.31 no.4
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    • pp.874-880
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    • 2010
  • A series of 13- and 14-membered cyclic enkephalin analogs based on the moderately $\mu$ selective prototype compound Tyr-C[D-$A_2bu$-Gly-Phe-Leu] 8a were synthesized to investigate the structure-activity relationship. The modifications of sequence were mainly focused on two positions 3 and 5, critical for the selective recognition for $\mu$ and $\delta$ opioid receptors. The substitution of hydrophobic $Leu^5$ with hydrophilic $Asp^5$ derivatives led to Tyr-C[D-$A_2bu$-Gly-Phe-Asp(N-Me)] 7 and Tyr-C[D-Glu-Phe-gPhe-rAsp(O-Me)] 5, the peptides with a large affinity losses at both $\mu$ and $\delta$ receptors. The substitution of $Phe^3$ with $Gly^3$ led to Tyr-C[D-Glu-Gly-gPhe-rLeu] 3 and Tyr-C[D-Glu-Gly-gPhe-D-rLeu] 4, the peptides with large affinity losses at $\mu$ receptors, indicating the critical role of phenyl ring of $Phe^3$ for $\mu$ receptor affinities. One atom reduction of the ring size from 14-membered analogs Tyr-C[D-Glu-Phe-gPhe-(L and D)-rLeu] 6a, 6b to 13-membered analogs Tyr-C[D-Asp-Phe-gPhe-(L and D)-rLeu] 1, 2 reduced the affinity at both $\mu$ and $\delta$ receptors, but increased the potency in the nociceptive assay, indicating the ring constrain is attributed to high nociceptive potency of the analogs. For the influence of D- or L-chirality of $Leu^5$ on the receptor selectivity, regardless of chirality and ring size, all cyclic diastereomers displayed marked $\mu$ selectivity with low potencies at the $\delta$ receptor. The retro-inverso analogs display similar or more active at $\mu$ receptor, but less active at $\delta$ receptor than the parent analogs.

A Study on the Geometric Deformation Measurement of Structures by Collinearity Condition (공선조건에 의한 구조물의 기하학적 변형해석에 관한 연구)

  • 강준묵;오원진;이진덕;한승희
    • Journal of the Korean Society of Surveying, Geodesy, Photogrammetry and Cartography
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    • v.4 no.2
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    • pp.77-87
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    • 1986
  • As for the deformation measurement of structure, there are many controversial points in using the methods by the strain guage, inclinometer, bial guage, and geodetic method because of the difficulty of instrument setting and the problem in the degree of accuracy of the results as well as in the economical aspect. Therefore, to verify the superiority of the Close- Range Photogrammetry method for the structural deformation measurement, the result of load deformation on the model structure, which was made using the Close-Range Photogrammetry method was compard with the results which was made using the methods of dial guage, precision level, and triangulation. In addition to that, to consider the general problem which would happen when C. R. P method was applied to the practical structure. The elements of C. R. P method like camera rotation angle ($\psi$,$\omega$), exposure elevation (Z$_{L}$), and angle of inclined base line ($\theta$) were experimented, and their specificities were reconsidered. As a result, the application of C. R. P method to the general structure is expected to be increased not only in the aspect of accuracy but in the economical aspect.t.

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