Crystallography Open Database

Information card for entry 2236208

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Structure parameters

Chemical name	[1-Methoxy-3-(pyridin-2-yl)indolizin-2-yl](pyridin-2-yl)methanone
Formula	C20 H15 N3 O2
Calculated formula	C20 H15 N3 O2
SMILES	O(c1c2n(cccc2)c(c1C(=O)c1ncccc1)c1ncccc1)C
Title of publication	[1-Methoxy-3-(pyridin-2-yl)indolizin-2-yl](pyridin-2-yl)methanone
Authors of publication	Kloubert, Tobias; Kretschmer, Robert; Görls, Helmar; Westerhausen, Matthias
Journal of publication	Acta Crystallographica Section E
Year of publication	2012
Journal volume	68
Journal issue	9
Pages of publication	o2631 - o2632
a	25.822 ± 0.002 Å
b	11.4406 ± 0.0009 Å
c	11.3602 ± 0.0007 Å
α	90°
β	107.07 ± 0.004°
γ	90°
Cell volume	3208.2 ± 0.4 Å³
Cell temperature	183 ± 2 K
Ambient diffraction temperature	183 ± 2 K
Number of distinct elements	4
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.1155
Residual factor for significantly intense reflections	0.0541
Weighted residual factors for significantly intense reflections	0.1158
Weighted residual factors for all reflections included in the refinement	0.1324
Goodness-of-fit parameter for all reflections included in the refinement	1.027
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

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