Crystallography Open Database

Information card for entry 7153079

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Coordinates	7153079.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C15 H12 N2
Calculated formula	C15 H12 N2
Title of publication	DABCO-promoted synthesis of pyrazoles from tosylhydrazones and nitroalkenes.
Authors of publication	Tang, Meng; Zhang, Wen; Kong, Yuanfang
Journal of publication	Organic & biomolecular chemistry
Year of publication	2013
Journal volume	11
Journal issue	37
Pages of publication	6250 - 6254
a	16.9366 ± 0.0009 Å
b	17.1465 ± 0.0007 Å
c	17.6534 ± 0.0009 Å
α	90°
β	109.578 ± 0.006°
γ	90°
Cell volume	4830.2 ± 0.4 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	3
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0932
Residual factor for significantly intense reflections	0.0552
Weighted residual factors for significantly intense reflections	0.1252
Weighted residual factors for all reflections included in the refinement	0.1504
Goodness-of-fit parameter for all reflections included in the refinement	0.981
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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