Crystallography Open Database

Information card for entry 2105258

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Coordinates	Coordinates are not available: file is not found.
Structure factors	2105258.hkl
Original IUCr paper	HTML

Structure parameters

Chemical name	5,6-benzfurazan 1-oxide, polymorph Z6
Formula	C8 H8 N2 O2
Calculated formula	C8 H8 N2 O2
Title of publication	Four polymorphs (polytypes) of 5,6-dimethylbenzofurazan 1-oxide
Authors of publication	Britton, Doyle; Young, Jr, Victor G.; Noland, Wayland E.; Pinnow, Matthew J.; Clark, Christopher M.
Journal of publication	Acta Crystallographica Section B
Year of publication	2012
Journal volume	68
Journal issue	5
Pages of publication	536 - 542
a	9.007 ± 0.0011 Å
b	11.1331 ± 0.0013 Å
c	12.9526 ± 0.0015 Å
α	65.173 ± 0.002°
β	80.629 ± 0.002°
γ	79.862 ± 0.002°
Cell volume	1154.6 ± 0.2 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 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	0.0762
Residual factor for significantly intense reflections	0.0515
Weighted residual factors for significantly intense reflections	0.1429
Weighted residual factors for all reflections included in the refinement	0.1676
Goodness-of-fit parameter for all reflections included in the refinement	1.03
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	Yes

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