Crystallography Open Database

Information card for entry 1542486

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Structure parameters

Chemical name	9-(5-Bromo-2-hydroxyphenyl)-10-(2-hydroxyethyl)-3,4,6,7-tetrahydroacridine-1,8(2<i>H</i>,5<i>H</i>,9<i>H</i>,10<i>H</i>)-dione
Formula	C21 H22 Br N O4
Calculated formula	C21 H22 Br N O4
Title of publication	9-(5-Bromo-2-hydroxyphenyl)-10-(2-hydroxyethyl)-3,4,6,7-tetrahydroacridine-1,8(2<i>H</i>,5<i>H</i>,9<i>H</i>,10<i>H</i>)-dione
Authors of publication	Abdelhamid, Antar A.; Mohamed, Shaaban K.; Simpson, Jim
Journal of publication	IUCrData
Year of publication	2016
Journal volume	1
Journal issue	1
Pages of publication	x152425
a	16.0067 ± 0.0004 Å
b	8.9455 ± 0.0001 Å
c	16.1617 ± 0.0004 Å
α	90°
β	128.853 ± 0.004°
γ	90°
Cell volume	1802.17 ± 0.12 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	9
Hermann-Mauguin space group symbol	C 1 c 1
Hall space group symbol	C -2yc
Residual factor for all reflections	0.0184
Residual factor for significantly intense reflections	0.0183
Weighted residual factors for significantly intense reflections	0.0474
Weighted residual factors for all reflections included in the refinement	0.0474
Goodness-of-fit parameter for all reflections included in the refinement	1.056
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
301779 (current)	2025-08-18	Add cross-references to PubChem compounds in COD range 1/54 Each referenced PubChem compound corresponds to the full crystal structure.	1542486.cif
177535	2016-03-04	cif/ Updating files of 1542486 Original log message: Adding full bibliography for 1542486.cif.	1542486.cif
176753	2016-02-19	cif/1/54/ Fixing paper titles for structures from IUCrData journal.	1542486.cif
176542	2016-02-17	cif/ hkl/ Adding structures of 1542486 via cif-deposit CGI script.	1542486.cif