• Korean Journal of Crystallography
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• v.2 no.1
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• pp.12-16
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• 1991

C18H22N4OS, Mr=342.47, monoclinic, P2₁/c,a=11.802(2), b=31.962(2), c=9.829(2)A, β=100.12(1)˚, V=3694.8A3,F(000)=1472, Z=8, Dx=1.246 Mg m-3, Dm=1.17Mg m-3,λ=0.71073 A, μ=0.15mm-1, T=294 K. final R=0.0856 for 3718 observed reflection (Fo>3σ(Fo)) There are two molecules in an asymmetric unit and a major difference between these molecules is in the C(9)-N(1)-C(6)-C(7) torsion angles [58.8(8)˚and 1(1)˚]. Both molecules have intramolecular N(1)-H(10)'N(3) hydrogen bonds [ 2.613(7) and 2.566(7) A] and assume V-shaped conformation with N(2) atoms at the verices. The two independent molecules are linked by the two N(2)-H(11)'S' hydrogen bonds[3.367(5) A and 3.421(4)A] and the dimergen are held together by van der Waals forces.

• Proceedings of the Korean Institute of Electrical and Electronic Material Engineers Conference
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• 2009.06a
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• pp.351-352
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• 2009

이중의 망간 페로브스카이트 블록을 가진 Ruddlesden-Popper 상 (R-P phase) $Sr_3Mn_2O_7$은 공기중에서 불안정하다. 본 연구에서는 Sr이온 자리에 La, Ca이온을 치환함으로써 R-P상을 안정화 시켰으며, 이들의 결정구조는 Neutron Diffraction 데이터를 이용하여 Rietveld 법으로 정밀화하였다 $La_{1.4}Sr_{0.8}Ca_{0.8}Mn_2O_7$, $La_{1.2}Sr_{0.9}Ca_{0.9}Mn_2O_7$은 $T_N$이 80K이며 25K에서 spin-glass 변이가 관찰되었다.

• Korean Journal of Crystallography
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• v.13 no.3_4
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• pp.148-151
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• 2002

The molecular and crystal structure of metalaxyl C/sub15/H/sub21/NO₄, was determined by single crystal x-ray diffraction study. Crystallographic data for, title compound P2₁/c, a=7.849(4) Å, b=13.081(5) Å, c=15.100(3) Å, β=101.8(2)°, V= 1517.6(3) ų, Z=4. The molecular. Structure model was solved by direct method and refined by full-matrix least- squares. The final reliable factor, R, is 0.067 for 1694 independent reflections (F/sub o//sup 2/>4σ(F/sub o//sup 2/)). The molecular structure of title compound shows an intramolecular hydrogen bond: Cl2-Hl2A…O1.

• Korean Journal of Crystallography
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• v.8 no.2
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• pp.111-118
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• 1997

The structrue of hydroxy-bisbenzoyloxy-allyloxycalix[4]arene (C45H36O6) has been determined by X-ray crystallography. The crystals are monoclinic, space group P21, unit cell constants a=11.045(3), b=33.545(2) c=10.319(4)Å, β=113.86(2)˚, Z=4, V=3496.0(1.8) Å3, DC=1.28 gcm-3. The intensity data were collected on an Enraf-Noninus CAD-4 Diffractometer with a graphite monochromated Mo-Kα radiation. The structure was solved by direct method and refined by full-matrix least-squares calculations to a final R value of 0.076 for 2945 observed reflections. Two independent enantiomeric molecules are crystallized in a 1:1 racemate mixture. They have the flattened cone conformation with the flattening hydroxy1 pheny1 rings. There is an intramolecular hydrogen bond in both molecules.

• Korean Journal of Crystallography
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• v.8 no.2
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• pp.132-137
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• 1997

The crystal structure of N,N'-di-tert-butoxycabonyl-2,7-diazabicyclo[3.3.0]oct-4-ene has been determined from single crystal x-ray diffraction study; C16H26N2O4, Triclinic, P1, a=11.119(1) Å, b=13.638(1) Å, c=6.214(1) Å, α=92.14(1)°, β=103.49(1)°, γ=73.35(1)°, V=877.4(2)Å3, T=293(2)K, Z=2, CuKα(λ=1.5418Å). The structure was solved by direct method and refined by full-matrix least squares to a final R=5.38% for 2389 unique observed F0>4σ(F0) reflections and 225 parameters.

• Korean Journal of Crystallography
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• v.8 no.2
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• pp.138-143
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• 1997

The crystal structure of isoimperatorin, f-[(3-methyl-2-butenyl)oxy]-7H-furo[3,2-g][1] benzopyran-7-one, has been determined from single crystal x-ray diffraction study; C16H14O4, Monoclinic, P21/c, a=8.865(1) Å, b=9.331(1) Å, c=16.156(1) Å, β=98.12(1)', V=1322.9(2) Å3, T=293(2)K, z=4, Cu Kα(λ=1.5418 Å). The structure was solved by direct method and refined by full-matrix least squares to a final R=5.72% for 1922 unique observed Fo>4o(F0) reflections and 182 parameters.

• Korean Journal of Crystallography
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• v.8 no.2
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• pp.144-148
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• 1997

the molecular and crystal 3-dimensional structure of bentazone, C10H12N2O3S, has been determined from single crystal x-ray diffraction study. Crystal system is monoclinic: a=8.7817(9)Å, b=9.6059(9) Å, c=13.574(9) Å, β=97.269(1)', V=1136.1(6)Å, space group : P21/c, z=4. The molecular structure model was solved by direct method and refined by full matrix least squares. The final reliable factor, R, is 0.045 for 1396 independent reflections(Fo2>4σFo2). A molecule has a staggered conformation with thiocarbazin ring and isopropyl functional group and the molecules by hydrogen bonds are cross stacked along the c-axis.

• Korean Journal of Crystallography
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• v.13 no.2
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• pp.86-90
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• 2002

The structure of N-(Diphenylmethylene)aminomethylphosphonate has been determined by X-ray diffraction methods. The crystal system is triclinic, space group P(equation omitted), unit cell constants, a＝8.967(2) (equation omitted), b＝9.309(2) (equation omitted), c＝ 10.981(2) (equation omitted), α＝101.42(2)°, β＝92.22(2)°, γ＝92.23(2)°, V=896.8(3) (equation omitted), T＝296 K, Z＝2, D/sub c/＝1.227 Mgm/sup -3/. The intensity data were collected on an Enraf-Nonius CAD-4 Diffractometer with graphite monochromated MoKα radiation (λ＝0.7107(equation omitted)). The molecular structure was solved by direct methods and refined by full-matrix least-squares to a final R＝7.3% for 979 unique observed F/sub o/>4σ(F/sub o/) refections and 209 parameters.

• Korean Journal of Crystallography
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• v.9 no.1
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• pp.6-10
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• 1998

The complex[Cu(L)](ClO4)2 (1) (L:3,5,10,12-Tetramethyl-1,4,8,11-tetraazacyclotetradecane) has been synthesized and structurally characterized. The complex 1 crystallizes in the monoclinic system, space group P21/n with cell parameters a=8.208(2)Å, b=13.339(6) Å, c=10.752(5) Å, β=111.02(4)˚ Z=2. Least-squares refinement of 1 led to a R(RW)factor of 0.073 (0.142) for 617 observed reflections of F0>40(F0). The crystal structure of 1 has a square-planar geometry and adopts the trans-III conformation.

• Korean Journal of Crystallography
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• v.9 no.1
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• pp.11-14
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• 1998

The synthesis and characterization of [Cu(L)](NCS)2 (1) (L:2,5,9,12-Tetramethyl-1,4,8,11-tetraazacyclotetradecane) are described. Crystal structure of 1 crystallizes in the monoclinic system, space group P21/a, a=7.622(2)Å, b=17.645(2) Å, c=8.223(3) Å, β=109.99(2)˚ Z=2. Least-squares refinement of 1 led to a R(Rw) factor of 0.087 (0.158) for 1535 observed reflections of F0>40(F0). The complex 1 has a square planar geometry with average Cu-N (secondary amines) bond distance of 2.030(4)Å. The axially disposed thiocyanate anions are not coordinated with Cu-N distances of 2.842(7) Å.