Crystallography Open Database

Information card for entry 2210612

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Structure parameters

Chemical name	1,1'-(Naphthalene-1,4-diyldicarbonyl)bis(1H-imidazole)
Formula	C18 H12 N4 O2
Calculated formula	C18 H12 N4 O2
SMILES	O=C(n1ccnc1)c1ccc(c2ccccc12)C(=O)n1ccnc1
Title of publication	1,1'-(Naphthalene-1,4-diyldicarbonyl)bis(1<i>H</i>-imidazole)
Authors of publication	Lin-Hai Jing; Shao-Jin Gu; Huan-Xia Zhang
Journal of publication	Acta Crystallographica Section E
Year of publication	2006
Journal volume	62
Journal issue	10
Pages of publication	o4306 - o4307
a	7.801 ± 0.0003 Å
b	8.189 ± 0.0003 Å
c	11.9799 ± 0.0006 Å
α	75.9 ± 0.001°
β	77.415 ± 0.002°
γ	84.738 ± 0.001°
Cell volume	723.81 ± 0.05 Å³
Cell temperature	153 ± 2 K
Ambient diffraction temperature	153 ± 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	0.0412
Residual factor for significantly intense reflections	0.0358
Weighted residual factors for significantly intense reflections	0.1157
Weighted residual factors for all reflections included in the refinement	0.1229
Goodness-of-fit parameter for all reflections included in the refinement	0.994
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

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