Crystallography Open Database

Information card for entry 2208943

2208942 << 2208943 >> 2208944

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Structure parameters

Chemical name	Glyoxal 3-nitrophenylhydrazone
Formula	C8 H7 N3 O3
Calculated formula	C8 H7 N3 O3
SMILES	N(/N=C/C=O)c1cc(N(=O)=O)ccc1
Title of publication	A hydrogen-bonded <i>C</i>(6) chain in glyoxal 3-nitrophenylhydrazone
Authors of publication	Low, John N.; Wardell, James L.; Glidewell, Christopher
Journal of publication	Acta Crystallographica Section E
Year of publication	2006
Journal volume	62
Journal issue	5
Pages of publication	o1816 - o1818
a	7.4737 ± 0.0004 Å
b	19.7711 ± 0.0013 Å
c	6.0262 ± 0.0004 Å
α	90°
β	107.08 ± 0.004°
γ	90°
Cell volume	851.18 ± 0.09 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	4
Space group number	9
Hermann-Mauguin space group symbol	C 1 c 1
Hall space group symbol	C -2yc
Residual factor for all reflections	0.0496
Residual factor for significantly intense reflections	0.041
Weighted residual factors for significantly intense reflections	0.094
Weighted residual factors for all reflections included in the refinement	0.0982
Goodness-of-fit parameter for all reflections included in the refinement	1.082
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

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