Crystallography Open Database

Information card for entry 7238563

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Coordinates	7238563.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C9 H9 N3 O2
Calculated formula	C9 H9 N3 O2
Title of publication	A one pot synthesis of [1,3,4]-oxadiazoles mediated by molecular iodine
Authors of publication	Guin, Srimanta; Rout, Saroj Kumar; Ghosh, Tuhin; Khatun, Nilufa; Patel, Bhisma K.
Journal of publication	RSC Advances
Year of publication	2012
Journal volume	2
Journal issue	8
Pages of publication	3180
a	8.2269 ± 0.0008 Å
b	10.1265 ± 0.0011 Å
c	11.1995 ± 0.0011 Å
α	84.312 ± 0.006°
β	86.837 ± 0.006°
γ	76.573 ± 0.007°
Cell volume	902.56 ± 0.16 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 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	0.1067
Residual factor for significantly intense reflections	0.0782
Weighted residual factors for significantly intense reflections	0.2253
Weighted residual factors for all reflections included in the refinement	0.2489
Goodness-of-fit parameter for all reflections included in the refinement	1.093
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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