Crystallography Open Database

Information card for entry 7246987

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Coordinates	7246987.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H15 N O2
Calculated formula	C20 H15 N O2
SMILES	c1cccc2nc3ccccc3cc12.c1(ccc(cc1)C=O)O
Title of publication	Structural diversity of cocrystals formed from acridine and two isomers of hydroxybenzaldehyde: 3-hydroxybenzaldehyde and 4-hydroxybenzaldehyde
Authors of publication	Nowak, Patryk; Sikorski, Artur
Journal of publication	RSC Advances
Year of publication	2023
Journal volume	13
Journal issue	29
Pages of publication	20105 - 20112
a	11.5433 ± 0.0008 Å
b	10.6297 ± 0.001 Å
c	12.9034 ± 0.0012 Å
α	90°
β	96.365 ± 0.009°
γ	90°
Cell volume	1573.5 ± 0.2 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	0.1411
Residual factor for significantly intense reflections	0.0791
Weighted residual factors for significantly intense reflections	0.1635
Weighted residual factors for all reflections included in the refinement	0.1971
Goodness-of-fit parameter for all reflections included in the refinement	1.073
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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