Crystallography Open Database





Information card for 4000038

4000037 << 4000038 >> 4000039

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Coordinates

4000038.cif

Structure parameters

Formula - C18 H13 N3 O4 -
Calculated formula - C18 H13 N3 O4 -
Title of publication Molecular complexation as a design tool in the crystal engineering of non-centrosymmetric structures. Ideal orientation of chromophores linked by O-H...O and C-H...O hydrogen bonds for nonlinear optics. 4-cyanopyridine-1-oxide 4-hydroxy-4'-nitrophenyl.
Authors of publication Muthuraman, Meiyappan ; Masse, René ; Nicoud, Jean-François ; Desiraju, Gautam R
Journal of publication Chemistry of Materials
Year of publication 2001
a 37.17 ± 0.003 Å
b 5.6947 ± 0.0004 Å
c 7.6038 ± 0.0006 Å
α 90 ± 0.005°
β 90 ± 0.005°
γ 90 ± 0.005°
Cell volume 1609.5 ± 0.2 Å3
Cell temperature 296.2 K
Ambient diffraction temperature 296.2 K
Number of distinct elements 4
Hermann-Mauguin symmetry space group P c a 21
Hall symmetry space group P 2c -2ac
Diffraction radiation wavelength 0.5608 Å
Diffraction radiation type AgKα
Has coordinates Yes
Has disorder No
Has Fobs No

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