Crystallography Open Database

Information card for entry 2202513

2202512 << 2202513 >> 2202514

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Coordinates	2202513.cif
Original IUCr paper	HTML

Structure parameters

Chemical name	Pyridine-2-carbaldehyde thiosemicarbazone 1.75-hydrate
Formula	C7 H11.5 N4 O1.75 S
Calculated formula	C7 H11.5 N4 O1.75 S
Title of publication	Pyridine-2-carbaldehyde thiosemicarbazone 1.75-hydrate
Authors of publication	Zhi Min Jin; Liang Shen; Lin He; Hong Guo; Hua Tong Wang
Journal of publication	Acta Crystallographica Section E
Year of publication	2003
Journal volume	59
Journal issue	12
Pages of publication	o1909 - o1911
a	13.676 ± 0.001 Å
b	13.676 ± 0.001 Å
c	22.192 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	4150.6 ± 0.7 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	5
Space group number	88
Hermann-Mauguin space group symbol	I 41/a :2
Hall space group symbol	-I 4ad
Residual factor for all reflections	0.0655
Residual factor for significantly intense reflections	0.0397
Weighted residual factors for significantly intense reflections	0.0878
Weighted residual factors for all reflections included in the refinement	0.0951
Goodness-of-fit parameter for all reflections included in the refinement	0.93
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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