Crystallography Open Database

Information card for entry 2242007

2242006 << 2242007 >> 2242008

Preview

Structure parameters

Chemical name	(<i>E</i>)-<i>N</i>^1^-[(Anthracen-9-yl)methylidene]-<i>N</i>^4^-phenylbenzene-1,4-diamine
Formula	C27 H20 N2
Calculated formula	C27 H20 N2
SMILES	c12ccccc1cc1ccccc1c2/C=N/c1ccc(cc1)Nc1ccccc1
Title of publication	Crystal structure of (<i>E</i>)-<i>N</i>^1^-[(anthracen-9-yl)methylidene]-<i>N</i>^4^-phenylbenzene-1,4-diamine
Authors of publication	Faizi, Md. Serajul Haque; Haque, Ashanul; Ahmad, Musheer; Golenya, Irina A.
Journal of publication	Acta Crystallographica Section E
Year of publication	2017
Journal volume	73
Journal issue	2
Pages of publication	137 - 140
a	11.1554 ± 0.0008 Å
b	45.224 ± 0.003 Å
c	11.5856 ± 0.0008 Å
α	90°
β	96.645 ± 0.002°
γ	90°
Cell volume	5805.6 ± 0.7 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	3
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	0.0924
Residual factor for significantly intense reflections	0.0521
Weighted residual factors for significantly intense reflections	0.1057
Weighted residual factors for all reflections included in the refinement	0.121
Goodness-of-fit parameter for all reflections included in the refinement	1.037
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

Version history

Revision	Date	Message	Files
301807 (current)	2025-08-19	Add cross-references to PubChem compounds in COD range 2/24 Each referenced PubChem compound corresponds to the full crystal structure.	2242007.cif 2242007.hkl
190358	2017-01-11	cif/ hkl/ Adding structures of 2242007 via cif-deposit CGI script.	2242007.cif 2242007.hkl