Crystallography Open Database

Information card for entry 7204276

7204275 << 7204276 >> 7204277

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Coordinates	7204276.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	4-phenylimidazole
Formula	C9 H8 N2
Calculated formula	C9 H8 N2
Title of publication	The annular tautomerism of 4(5)-phenylimidazole
Authors of publication	Claramunt, Rosa M.; Santa María, María Dolores; Infantes, Lourdes; Cano, Félix H.; Elguero, José
Journal of publication	Journal of the Chemical Society, Perkin Transactions 2
Year of publication	2002
Journal issue	3
Pages of publication	564
a	20.627 ± 0.002 Å
b	20.627 ± 0.002 Å
c	9.766 ± 0.001 Å
α	90°
β	90°
γ	120°
Cell volume	3598.5 ± 0.6 Å³
Cell temperature	293 K
Ambient diffraction temperature	293 K
Number of distinct elements	3
Space group number	161
Hermann-Mauguin space group symbol	R 3 c :H
Hall space group symbol	R 3 -2"c
Residual factor for all reflections	0.068
Residual factor for significantly intense reflections	0.05
Weighted residual factors for all reflections	0.06
Weighted residual factors for significantly intense reflections	0.058
Goodness-of-fit parameter for all reflections	0.905
Goodness-of-fit parameter for significantly intense reflections	0.907
Diffraction radiation wavelength	1.5418 Å
Diffraction radiation type	xray_synch
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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