Crystallography Open Database

Information card for entry 2209230

2209229 << 2209230 >> 2209231

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Structure parameters

Chemical name	1-(6-Chloropyridin-3-ylmethyl)-1H-benzoimidazole
Formula	C13 H10 Cl N3
Calculated formula	C13 H10 Cl N3
SMILES	c1c(ccc(Cl)n1)Cn1cnc2ccccc12
Title of publication	1-(6-Chloropyridin-3-ylmethyl)-1<i>H</i>-benzimidazole
Authors of publication	Ming-Yi Cai; Zhong Li; Gong-Hua Song; Tao Yu; Ying-Li Wu
Journal of publication	Acta Crystallographica Section E
Year of publication	2006
Journal volume	62
Journal issue	6
Pages of publication	o2374 - o2376
a	8.39 ± 0.005 Å
b	11.547 ± 0.007 Å
c	11.737 ± 0.007 Å
α	90°
β	90°
γ	90°
Cell volume	1137.1 ± 1.2 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	4
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0434
Residual factor for significantly intense reflections	0.037
Weighted residual factors for significantly intense reflections	0.089
Weighted residual factors for all reflections included in the refinement	0.0919
Goodness-of-fit parameter for all reflections included in the refinement	1.044
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

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