Crystallography Open Database

Information card for entry 7155579

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Structure parameters

Formula	C22 H20 N2 O4
Calculated formula	C22 H20 N2 O4
Title of publication	Synthesis of 2-amino- and 2-arylazoazulenes via nucleophilic aromatic substitution of 2-chloroazulenes with amines and arylhydrazines
Authors of publication	Shoji, Taku; Sugiyama, Shuhei; Araki, Takanori; Ohta, Akira; Sekiguchi, Ryuta; Ito, Shunji; Mori, Shigeki; Okujima, Tetsuo
Journal of publication	Org. Biomol. Chem.
Year of publication	2017
a	12.8205 ± 0.0004 Å
b	8.93 ± 0.0003 Å
c	16.3199 ± 0.0006 Å
α	90°
β	93.109 ± 0.003°
γ	90°
Cell volume	1865.67 ± 0.11 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	4
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	0.0577
Residual factor for significantly intense reflections	0.0428
Weighted residual factors for significantly intense reflections	0.093
Weighted residual factors for all reflections included in the refinement	0.1004
Goodness-of-fit parameter for all reflections included in the refinement	1.049
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
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.	7155579.cif
195415	2017-04-13	cif/ Adding structures of 7155579, 7155580 via cif-deposit CGI script.	7155579.cif