Crystallography Open Database

Information card for entry 1562364

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Structure parameters

Formula	C19 H15 N3 O
Calculated formula	C19 H15 N3 O
SMILES	N(=C\c1c(O)ccc(/N=N/c2ccccc2)c1)/c1ccccc1
Title of publication	Orthorhombic Polymorphism of 4-(2-Phenyldiazenyl)-2-[(phenylimino)methyl]phenol
Authors of publication	SUDA, Shintaro; ONAMI, Yuika; HARAGUCHI, Tomoyuki; AKITSU, Takashiro
Journal of publication	X-ray Structure Analysis Online
Year of publication	2021
Journal volume	37
Journal issue	0
Pages of publication	17 - 18
a	18.351 ± 0.004 Å
b	17.574 ± 0.004 Å
c	4.5721 ± 0.0009 Å
α	90°
β	90°
γ	90°
Cell volume	1474.5 ± 0.5 Å³
Cell temperature	173 K
Ambient diffraction temperature	173 K
Number of distinct elements	4
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	0.0882
Residual factor for significantly intense reflections	0.0757
Weighted residual factors for significantly intense reflections	0.2283
Weighted residual factors for all reflections included in the refinement	0.2379
Goodness-of-fit parameter for all reflections included in the refinement	1.079
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
301787 (current)	2025-08-19	Add cross-references to PubChem compounds in COD range 1/56 Each referenced PubChem compound corresponds to the full crystal structure.	1562364.cif
264971	2021-05-05	cif/ Adding structures of 1562364 via cif-deposit CGI script.	1562364.cif