Crystallography Open Database

Information card for entry 7239978

Preview

Coordinates	7239978.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C11 H12 N3 O1.5
Calculated formula	C11 H12 N3 O1.5
SMILES	Oc1c(/N=C/c2nccn2C)cccc1.O
Title of publication	Self-assembled supramolecular structures of O,N,N′ tridentate imidazole–phenol Schiff base compounds
Authors of publication	Barry, Kristy-Lyn; Grimmer, Craig D.; Munro, Orde Q.; Akerman, Matthew P.
Journal of publication	RSC Advances
Year of publication	2020
Journal volume	10
Journal issue	13
Pages of publication	7867 - 7878
a	22.5522 ± 0.0016 Å
b	7.1022 ± 0.0005 Å
c	13.462 ± 0.0009 Å
α	90°
β	110.4 ± 0.003°
γ	90°
Cell volume	2021 ± 0.2 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	4
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0471
Residual factor for significantly intense reflections	0.0423
Weighted residual factors for significantly intense reflections	0.1113
Weighted residual factors for all reflections included in the refinement	0.1161
Goodness-of-fit parameter for all reflections included in the refinement	1.056
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
298703 (current)	2025-04-03	cif/7: Fixing Z values and formulae	7239978.cif
258087	2020-10-06	cif/ Updating files of 7239975, 7239976, 7239977, 7239978 Original log message: Adding full bibliography for 7239975--7239978.cif.	7239978.cif
248432	2020-02-25	cif/ Adding structures of 7239975, 7239976, 7239977, 7239978 via cif-deposit CGI script.	7239978.cif