Crystallography Open Database

Information card for entry 1549950

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Structure parameters

Chemical name	(3<i>E</i>)-3-{(2<i>E</i>)-3-[4-(Dimethylamino)phenyl]prop-2-enylidene}-3,4-dihydro-2<i>H</i>-chromen-4-one
Formula	C20 H19 N O2
Calculated formula	C20 H19 N O2
SMILES	CN(C)c1ccc(cc1)/C=C/C=C/1COc2c(C1=O)cccc2
Title of publication	Crystal structure of (3<i>E</i>)-3-{(2<i>E</i>)-3-[4-(dimethylamino)phenyl]prop-2-enylidene}-3,4-dihydro-2<i>H</i>-chromen-4-one
Authors of publication	Biruntha, K.; Reuben Jonathan, D.; Mohamooda Sumaya, U.; Dravida Thendral, E. R. A.; Usha, G.
Journal of publication	IUCrData
Year of publication	2018
Journal volume	3
Journal issue	9
Pages of publication	x181273
a	9.362 ± 0.0004 Å
b	11.6073 ± 0.0005 Å
c	15.0732 ± 0.0007 Å
α	90°
β	98.859 ± 0.002°
γ	90°
Cell volume	1618.43 ± 0.12 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	294 ± 2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0626
Residual factor for significantly intense reflections	0.0444
Weighted residual factors for significantly intense reflections	0.1196
Weighted residual factors for all reflections included in the refinement	0.1333
Goodness-of-fit parameter for all reflections included in the refinement	1.051
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

Version history

Revision	Date	Message	Files
210979 (current)	2018-09-15	cif/ hkl/ Adding structures of 1549950 via cif-deposit CGI script.	1549950.cif 1549950.hkl