Crystallography Open Database

Information card for entry 2218784

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Structure parameters

Chemical name	2-[4-(Dimethylamino)phenyl]imidazo[4,5-<i>f</i>][1,10]phenanthroline sesquihydrate
Formula	C21 H20 N5 O1.5
Calculated formula	C21 H20 N5 O1.5
SMILES	c1ccc2c(c3c(cccn3)c3c2[nH]c(c2ccc(cc2)N(C)C)n3)n1.O.O
Title of publication	2-[4-(Dimethylamino)phenyl]imidazo[4,5-<i>f</i>][1,10]phenanthroline sesquihydrate
Authors of publication	Yin, Gang-Qiang
Journal of publication	Acta Crystallographica Section E
Year of publication	2008
Journal volume	64
Journal issue	7
Pages of publication	o1236
a	11.0503 ± 0.0009 Å
b	12.6386 ± 0.0008 Å
c	14.0297 ± 0.0011 Å
α	73.685 ± 0.009°
β	81.909 ± 0.01°
γ	79.163 ± 0.009°
Cell volume	1838.9 ± 0.3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 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	0.0816
Residual factor for significantly intense reflections	0.0506
Weighted residual factors for significantly intense reflections	0.1196
Weighted residual factors for all reflections included in the refinement	0.1381
Goodness-of-fit parameter for all reflections included in the refinement	0.964
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

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