Crystallography Open Database

Information card for entry 1562364

Preview

Coordinates	1562364.cif
Original paper (by DOI)	HTML

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

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