Crystallography Open Database

Information card for entry 2014485

2014484 << 2014485 >> 2014486

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Structure parameters

Chemical name	Di-2-pyridyl ketone 4-methyl-4-phenylthiosemicarbazone
Formula	C19 H17 N5 S
Calculated formula	C19 H17 N5 S
Title of publication	Di-2-pyridyl ketone 4-methyl-4-phenylthiosemicarbazone
Authors of publication	Varughese Philip; V. Suni; M. R. Prathapachandra Kurup
Journal of publication	Acta Crystallographica Section C
Year of publication	2004
Journal volume	60
Journal issue	12
Pages of publication	o856 - o858
a	9.3059 ± 0.001 Å
b	9.4966 ± 0.001 Å
c	10.5689 ± 0.001 Å
α	92.544 ± 0.001°
β	99.256 ± 0.001°
γ	104.917 ± 0.001°
Cell volume	887.18 ± 0.16 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0708
Residual factor for significantly intense reflections	0.0368
Weighted residual factors for significantly intense reflections	0.0919
Weighted residual factors for all reflections included in the refinement	0.1035
Goodness-of-fit parameter for all reflections included in the refinement	1.017
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

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