Crystallography Open Database

Information card for entry 7159900

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Coordinates	7159900.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	3-hydroxyphenazin-2(10H)-one
Formula	C12 H8 N2 O2
Calculated formula	C12 H8 N2 O2
Title of publication	Photochromism of phenazine-2,3-diol derivatives through excited state intermolecular proton transfer based on keto–enol tautomerization
Authors of publication	Ohira, Kazuki; Kozuka, Kumpei; Kaneda, Naoki; Yamamoto, Masahiro; Imato, Keiichi; Ooyama, Yousuke
Journal of publication	Organic & Biomolecular Chemistry
Year of publication	2024
a	3.7817 ± 0.0002 Å
b	9.718 ± 0.0006 Å
c	12.9407 ± 0.0006 Å
α	90°
β	92.15 ± 0.005°
γ	90°
Cell volume	475.24 ± 0.04 Å³
Cell temperature	299.5 ± 0.18 K
Ambient diffraction temperature	299.5 ± 0.18 K
Number of distinct elements	4
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0688
Residual factor for significantly intense reflections	0.0466
Weighted residual factors for significantly intense reflections	0.1192
Weighted residual factors for all reflections included in the refinement	0.1294
Goodness-of-fit parameter for all reflections included in the refinement	1.043
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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