Crystallography Open Database

Information card for entry 7246986

Preview

Coordinates	7246986.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H15 N O2
Calculated formula	C20 H15 N O2
SMILES	c1cccc2nc3ccccc3cc12.c1(cc(ccc1)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	7.2502 ± 0.0008 Å
b	9.0739 ± 0.0011 Å
c	12.1019 ± 0.001 Å
α	100.594 ± 0.009°
β	94.574 ± 0.008°
γ	95.976 ± 0.01°
Cell volume	774.34 ± 0.15 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 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 all reflections	0.0782
Residual factor for significantly intense reflections	0.0511
Weighted residual factors for significantly intense reflections	0.1207
Weighted residual factors for all reflections included in the refinement	0.1449
Goodness-of-fit parameter for all reflections included in the refinement	1.026
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7246986.html