Crystallography Open Database





Information card for 4020034

4020033 << 4020034 >> 4020035

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Coordinates

4020034.cif

Structure parameters

Chemical name N-[4-Bromo-5-(hydroxyphenylmethyl)-thiazol-2-yl]-2,2-dimethylpropanamide
Formula - C15 H17 Br N2 O2 S -
Calculated formula - C15 H17 Br N2 O2 S -
Authors of publication Peter Stanetty; Michael Schnürch; Kurt Mereiter; Marko D. Mihovilovic
Journal of publication Journal of Organic Chemistry
Year of publication 2005
Journal volume 70
Pages of publication 567 - 574
a 21.693 ± 0.002 Å
b 7.4264 ± 0.0004 Å
c 21.2705 ± 0.0016 Å
α 90°
β 111.716 ± 0.007°
γ 90°
Cell volume 3183.5 ± 0.4 Å3
Cell temperature 298 ± 2 K
Ambient diffraction temperature 298 ± 2 K
Number of distinct elements 6
Hermann-Mauguin symmetry space group C 1 2/c 1
Hall symmetry space group -C 2yc
Residual factor for all reflections 0.0533
Residual factor for observed reflections 0.0409
Weighted residual factors for the observed reflections 0.1053
Weighted residual factors for all reflections included in the refinement 0.1137
Goodness-of-fit parameter for observed reflections 1.036
Diffraction radiation wavelength 0.71073 Å
Diffraction radiation type MoKα
Has coordinates Yes
Has disorder No
Has Fobs No

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