Crystallography Open Database

Information card for entry 7155455

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Structure parameters

Formula	C26 H22 N2
Calculated formula	C26 H22 N2
SMILES	n1cc(ccc1)/C(=N/C(c1ccccc1)Cc1ccccc1)c1ccccc1
Title of publication	Stereodynamics and edge-to-face CH-π aromatic interactions in imino compounds containing heterocyclic rings.
Authors of publication	González-Rosende, M Eugenia; Castillo, Encarna; Jennings, W. Brian; Malone, John F.
Journal of publication	Organic & biomolecular chemistry
Year of publication	2017
Journal volume	15
Journal issue	6
Pages of publication	1484 - 1494
a	19.746 ± 0.008 Å
b	11.173 ± 0.004 Å
c	9.393 ± 0.004 Å
α	90°
β	90°
γ	90°
Cell volume	2072.3 ± 1.4 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	3
Space group number	33
Hermann-Mauguin space group symbol	P n a 21
Hall space group symbol	P 2c -2n
Residual factor for all reflections	0.0845
Residual factor for significantly intense reflections	0.0461
Weighted residual factors for significantly intense reflections	0.0799
Weighted residual factors for all reflections included in the refinement	0.0932
Goodness-of-fit parameter for all reflections included in the refinement	1.045
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
301861 (current)	2025-08-22	Add cross-references to PubChem compounds in COD range 7/15/ Each referenced PubChem compound corresponds to the full crystal structure.	7155455.cif
193884	2017-03-05	cif/ Updating files of 7155455, 7155456 Original log message: Adding full bibliography for 7155455--7155456.cif.	7155455.cif
190634	2017-01-18	cif/ Adding structures of 7155455, 7155456 via cif-deposit CGI script.	7155455.cif