Crystallography Open Database

Information card for entry 2208849

2208848 << 2208849 >> 2208850

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Structure parameters

Formula	C25 H21 Cl N4 O6
Calculated formula	C25 H21 Cl N4 O6
SMILES	c1(cc(ccc1Oc1ccc(cc1)NCc1ccccc1Oc1nc(cc(n1)OC)OC)N(=O)=O)Cl
Title of publication	4-(2-Chloro-4-nitrophenoxy)-<i>N</i>-[2-(4,6-dimethoxypyrimidin-2-yloxy)benzyl]aniline
Authors of publication	Zheng-Bo Chen; Jun Wu; Pei-Zhi Zhang; Pei-Min Zhang; Jing Lv
Journal of publication	Acta Crystallographica Section E
Year of publication	2006
Journal volume	62
Journal issue	5
Pages of publication	o1671 - o1672
a	9.524 ± 0.004 Å
b	11.064 ± 0.004 Å
c	12.334 ± 0.007 Å
α	88.869 ± 0.017°
β	70.14 ± 0.02°
γ	83.41 ± 0.019°
Cell volume	1214 ± 1 Å³
Cell temperature	298 ± 1 K
Ambient diffraction temperature	298 ± 1 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0795
Residual factor for significantly intense reflections	0.0478
Weighted residual factors for significantly intense reflections	0.1241
Weighted residual factors for all reflections included in the refinement	0.1398
Goodness-of-fit parameter for all reflections included in the refinement	1.046
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

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