• 제목/요약/키워드: Monoclinic structure

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Palladium(II) Schiff Base Complexes Derived from Allylamine and Vinylaniline

  • Uh, Yoon-Seo;Zhang, Hai-Wen;Vogels, Christopher M.;Decken, Andreae;Westcott, Stephen A.
    • Bulletin of the Korean Chemical Society
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    • 제25권7호
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    • pp.986-990
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    • 2004
  • Condensation of salicylaldehyde $(2-HOC_6H_4C(O)H)$ with allylamine afforded the unsaturated salicylaldimine, $2-HOC_6H_4C(H)=NCH_2CH=CH_2$. Similar reactivity was observed with substituted salicylaldehydes. Further reaction of these Schiff bases with palladium acetate or $Na_2PdCl_4$ afforded complexes of the type $PdL_2$, where L = deprotonated Schiff base. The molecular structure of the parent salicylaldimine palladium complex $[trans-(2-OC_6H_4C(H)=NCH_2CH=CH_2)_2Pd]$ (1) was characterized by an X-ray diffraction study. Crystals of 1 were monoclinic, space group $P2_1/n,\;a\;=\;14.0005(9)\;{\AA},\;b\;=7.2964(5)\;{\AA},\;c\;=\;17.5103(12)\;{\AA},\;{\beta}\;=\;100.189(1)^{\circ}$, Z = 4. Analogous chemistry with 4-vinylaniline also gave novel palladium complexes containing a pendant styryl group. Crystals of $[trans-(2-HOC_6H_4C(H)=N-4-C_6H_4CH=CH_2)_2Pd]$ (4) were monoclinic, space group $P2_1/c$, a = 13.7710(14) ${\AA}$, b = 11.0348(11) ${\AA}$, c = 7.8192(8) ${\AA}$, ${\beta}\;=\;98.817(2)^{\circ}$, Z = 2.

The Crystal and Molecular Structures of Neo-inositol and Two Forms of Scyllo-inositol (Neo-inositol 및 Scyllo-inositol의 結晶 및 分子 構造)

  • Yeon, Younghee
    • Korean Journal of Crystallography
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    • 제12권3호
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    • pp.150-156
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    • 2001
  • Nea-inositol is triclinic P???, with a =4.799(1), b=6.520(1), c=6.505(1) Å, α=70.61(1), β=69.41(1), γ=73.66(1)°, Z=1, molecular symmetry ???. Scyllo-inositol, from A, is monoclinic, P2₂/c, with a=5.089(1), c=11.948(2)Å, β=116.98(2)°, Z=2, molecular symmetry ???. Form B is triclinic, P???, with a=6.725(1), b=6.797(1), c=8.635(2)° Å, α=95.45(2), β=99.49(2), γ=99.19(2)°, Z=2, molecular symmetry ???. This crystal structure is pseudo-monoclinic, having two centrosymmetrical molecules with the almost identical conformation and orientation in the crystal lattice. The molecules have the expected chair conformations with puckering parameters of Q=0.609(2)Å for n대, 0.581(2)Å for Scyllo-A, and 0.566(2) Å for Scyllo-B. The bond lengths and angles are normal, C-C, 1.505 to 1.531 8A, C-O, 1.415 to 1.440 Å, C-C-C, 108.2 to 112.9°. The molecules are linked by systems of finite and infinite chains of hydrogen bonds.

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Crystal Growth of Cd4GeS6 and Cd4GeS6:Co2+Single Crystals ($Cd_{4}GeS_{6}$$Cd_{4}GeS_{6}:Co^{2+}$ 단결정의 성장)

  • Kim, D.T.;Kim, H.G.;Kim, N.O.
    • Proceedings of the Korean Institute of Electrical and Electronic Material Engineers Conference
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    • 한국전기전자재료학회 2004년도 추계학술대회 논문집
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    • pp.1-6
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    • 2004
  • In this paper author describe the undoped and $Co^{2+}$ (0.5mole%)doped $Cd_4GeS_6$ single crystals were grown by the chemical transporting reaction(CTR) method using high purity(6N) Cd, $GeS_2$, S elements. It was found from the analysis of X-ray diffraction that the undoped and $Co^{2+}$(0.5mole%) doped $Cd_{4}GeS_{6}$ compounds have a monoclinic structure in space grop Cc. The optical energy band gap was direct band gap and temperature dependence of optical energy gap was fitted well to Varshni equation. Impurity optical absorption peaks due to the doped cobalt in the $Cd_4GeS_6:Co^{2+}$ single crystal were observed at 3593cm-1, 5048cm-1, 5901cm-1, 7322cm-1, 12834cm-1, 13250cm-1, 14250cm-1,and 14975cm-1 at 11.3K.

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The Single Crystal Growth Method of undoped and Co-doped $Zn_4SnSe_6$ ($Zn_4SnSe_6:Co^{2+}$ 단결정의 성장방법에 관한 연구)

  • Kim, D.T.;Park, K.H.;Hyun, S.C.;Bang, T.H.;Kim, N.O.;Kim, H.G.
    • Proceedings of the Korean Institute of Electrical and Electronic Material Engineers Conference
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    • 한국전기전자재료학회 2006년도 영호남 합동 학술대회 및 춘계학술대회 논문집 센서 박막 기술교육
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    • pp.27-30
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    • 2006
  • In this paper, the undoped and Co-doped $Zn_4SnSe_6$ single crystals grown by the chemical transporting reaction(CTR) method using iodine as a transporting agent are investigated. For the crystal growth, the temperature gradient of the CTR furnace was kept at $680^{\circ}C$ for the source zone and at $780^{\circ}C$ for the growth zone for 7days. It was found from the analysis of x-ray diffraction that the $Zn_4SnSe_6$ and $Zn_4SnSe_6Co^{2+}$ compounds have a monoclinic structure. The direct optical energy band gap of the $Zn_4SnSe_6$ and $Zn_4SnSe_6Co^{2+}$ single crystals at 300K were found to be 2.146eV and 2.042eV.

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Effect of annealing atmosphere on the properties of chemically deposited Ag2S thin films

  • Pawar, S.M.;Shin, S.W.;Lokhande, C.D.;Kim, J.H.
    • Proceedings of the Materials Research Society of Korea Conference
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    • 한국재료학회 2009년도 춘계학술발표대회
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    • pp.34.2-34.2
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    • 2009
  • The silver sulphide (Ag2S) thin films have been chemically deposited from an alkaline medium (pH 8 to 10) by using a silver nitrate and thiourea as a Ag and S ion precursor sources. Ethylene Damine tetraacetic acid (EDTA) was used as a complexing agent. The effect of annealing atmosphere such as Ar, N2+H2S and O2 on the structural, morphological and optical properties of Ag2S thin films has been studied. The annealed films were characterized by using X-ray diffraction (XRD), scanning electron microscopy (SEM) and optical absorption techniques for the structural, morphological, and optical properties, respectively. XRD studies reveal that the as-deposited thin films are polycrystalline with monoclinic crystal structure, is converted in to silver oxide after air annealing. The surface morphology study shows that grains are uniformly distributed over the entire surface of the substrate. Optical absorption study shows the as-deposited Ag2S thin films with band gap energy of 0.92eV and after air annealing it is found to be 2.25 eV corresponding to silver oxide thin films.

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Preparation and Structure of trans-Bis(tert-butylamine)dichloropalladium(II), trans-[$PdCl_2(t-BuNH_2)_2$] (trans-Bis(tert-butylamine)dichloropalladium(II), trans-[$PdCl_2(t-BuNH_2)_2$의 합성 및 구조)

  • 김혜진;한원석;이순원
    • Korean Journal of Crystallography
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    • 제12권1호
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    • pp.10-13
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    • 2001
  • Compound PdCl₂(PhCN)₂(1) reacted with tert-butylamine(t-BuNH₂) to give trans-[PdCl₂(t-BuNH₂)₂] (2) Compound 2 was characterized by spectroscopy (¹H-NMR, /sup 13/C{¹H}-NMR, and IR) and X-ray diffraction. Crystallographic data for f2: monoclinic space group p2₁/c, a=6.298(1)Å, b=20.740(2)Å, c=10.731(1)Å, β=92.58(1)°, Z=4, R(wR₂)=0.0207(0.0543).

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Refinement of the Structure of Alclofenac, 4-Allyloxy-3-Chlorophenyl acetic acid ($C_{11}H_{11}O_{3}CI$)

  • Kim, Yang-Bae;Kim, Sung-Jae;Koo, Chung-Hoe
    • Archives of Pharmacal Research
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    • 제9권4호
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    • pp.223-227
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    • 1986
  • The structure of alclofenac was determined by single crystal X-ray diffraction analysis. The compound was recrystallized from chloroform solution in monoclinic system space group $C_{2}$/c, with Z = 8, a = 8, a = 23.349(9), b =14.295 (3), c = 7.192 (2) $\AA$, $\beta$ = 111.32 (3)$^{\circ}$, and $d_{dbs}$ = 1.29, $d_{caic}$ = 1.30. The structure was solved by direct method and refined by least-squares procedure to the final R-value being 0.044 for 1055 reflections (F ${\geq}6${\sigma}$(F)). The molecules are dimerized by OH..O type hydrogen bonds related by two-fold axis.

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Crystal Structure Analysis of 4-Chloro-2{[(2-hydroxy-5-methylphenyl)amino]methyl}5-methylphenol

  • Sharmila, P.;Rajesh, R.;Venkatesan, R.;Ganapathy, Jagadeesan;Aravindhan, S.
    • Journal of Integrative Natural Science
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    • 제9권4호
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    • pp.261-267
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    • 2016
  • The crystal structure of the saliciline derivatives 4-chloro-2{[(2-hydroxy-5-methylphenyl)amino]methyl}5-methylphenol ($C_{15}H_{15}ClNO_2$) has been determined from single crystal X-ray diffraction data. In the title compound crystallizes in the monoclinic space group P21/c with unit cell dimension $a=11.5241(2){\AA}$, $b=8.733(2){\AA}$ and $c=13.649(2){\AA}$ [${\alpha}=90^{\circ}$, ${\beta}=130.876(2)^{\circ}$ and ${\gamma}=90^{\circ}$]. the title compound are essentially planar conformation. The compound lies across a crystallographic inversion centre and adopts E configurations with respect to the C-N bonds. The crystal packing of the molecules of compound is stabilized through weak O-H...O inter molecular interactions.

Refinement of the structure of naproxen, (+)-6- methoxy-$\alpha$-methyl-2-naphthaleneacetic acid

  • Kim, Yang-Bae;Song, Hyun-June;Park, Il-Yeong
    • Archives of Pharmacal Research
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    • 제10권4호
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    • pp.232-238
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    • 1987
  • The molecular structure of naproxen determined by X-ray diffraction technique was refine to the final R-value geing 0.042. The compound was recrystallized from ethanol solution in monoclinic crystal system, space group $P2_1$ , with Z = 2, a = 13.375(5) $\AA$, b = 5.793(2) $\AA$, c = 7.914 $\AA$, $\beta$=93.91(3)$\AA$ and $d_{obs}$ = 1.26, $d_{calc}$ = 1.25 g/cm$^{3}$. The structure was solved by direct method and refined by block diagonal least squares procedure for 747 relfections (F .leq. 6.sigma.(F)). The molecules are connected by two intermolecular OH--O type hydrogen bonds.

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The Crystal and Molecular Structure of Phthalylsulfacetamide

  • Shin, Whan-Chul;Kim, Young-Chang;Koo, Chung-Hoe
    • Bulletin of the Korean Chemical Society
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    • 제5권1호
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    • pp.23-26
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    • 1984
  • The crystal structure of phthalylsulfacetamide, one of the long-acting 'sulfa' drugs, has been determined by the X-ray diffraction methods. The crystal is monoclinic with cell dimensions of a = 7.980(3), b = 12.784(2), c = 18.064(7) ${\AA}$ and ${\beta}$= $112.94(2)^{\circ}$, space group $P2_1$/c and Z = 4. The structure was solved by the direct methods and refined to R = 0.048. The sulfonylacetamide moiety is folded with respect to the central phenyl ring and the benzamide and benzoyl planes are nearly perpendicular to each other. This conformation is consistent with those of the relevant molecules containing the corresponding moieties. All of the molecules in the crystal lattice are connected by a three-dimensional hydrogen bonding network.