Crystallography Open Database

Information card for entry 2241982

2241981 << 2241982 >> 2241983

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Structure parameters

Chemical name	(<i>E</i>)-9-({[4-(Diethylamino)phenyl]imino}methyl)-2,3,6,7-tetrahydro-1<i>H</i>,5<i>H</i>-pyrido[3,2,1-<i>ij</i>]quinolin-8-ol
Formula	C23 H29 N3 O
Calculated formula	C23 H29 N3 O
Title of publication	Crystal structure of (<i>E</i>)-9-({[4-(diethylamino)phenyl]imino}methyl)-2,3,6,7-tetrahydro-1<i>H</i>,5<i>H</i>-pyrido[3,2,1-<i>ij</i>]quinolin-8-ol
Authors of publication	Faizi, Md. Serajul Haque; Ahmad, Musheer; Kapshuk, Anatoly A.; Golenya, Irina A.
Journal of publication	Acta Crystallographica Section E
Year of publication	2017
Journal volume	73
Journal issue	1
Pages of publication	38 - 40
a	11.565 ± 0.002 Å
b	8.0504 ± 0.0016 Å
c	20.665 ± 0.004 Å
α	90°
β	97.68 ± 0.03°
γ	90°
Cell volume	1906.7 ± 0.6 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 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	0.1093
Residual factor for significantly intense reflections	0.0635
Weighted residual factors for significantly intense reflections	0.1292
Weighted residual factors for all reflections included in the refinement	0.15
Goodness-of-fit parameter for all reflections included in the refinement	1.064
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
301807 (current)	2025-08-19	Add cross-references to PubChem compounds in COD range 2/24 Each referenced PubChem compound corresponds to the full crystal structure.	2241982.cif
189161	2016-12-17	cif/ Adding structures of 2241982 via cif-deposit CGI script.	2241982.cif