Crystallography Open Database

Information card for entry 2231700

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Structure parameters

Chemical name	2-Oxochromen-4-yl 4-(dimethylamino)benzoate
Formula	C18 H15 N O4
Calculated formula	C18 H15 N O4
SMILES	O(c1c2c(oc(=O)c1)cccc2)C(=O)c1ccc(N(C)C)cc1
Title of publication	2-Oxochromen-4-yl 4-(dimethylamino)benzoate
Authors of publication	Abou, Akoun; Djandé, Abdoulaye; Sessouma, Bintou; Saba, Adama; Kakou-Yao, Rita
Journal of publication	Acta Crystallographica Section E
Year of publication	2011
Journal volume	67
Journal issue	9
Pages of publication	o2269 - o2270
a	7.4939 ± 0.0002 Å
b	10.2361 ± 0.0003 Å
c	10.662 ± 0.0003 Å
α	92.307 ± 0.003°
β	103.935 ± 0.001°
γ	109.852 ± 0.002°
Cell volume	739.92 ± 0.04 Å³
Cell temperature	298 K
Ambient diffraction temperature	298 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 significantly intense reflections	0.0475
Weighted residual factors for significantly intense reflections	0.1111
Weighted residual factors for all reflections included in the refinement	0.1195
Goodness-of-fit parameter for all reflections included in the refinement	0.9753
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

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