Crystallography Open Database

Information card for entry 2242409

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Structure parameters

Chemical name	2-Oxopyrrolidin-3-yl 4-(2-phenyldiazen-1-yl)benzoate
Formula	C17 H15 N3 O3
Calculated formula	C17 H15 N3 O3
SMILES	N(=N/c1ccccc1)\c1ccc(C(=O)O[C@@H]2C(=O)NCC2)cc1
Title of publication	Crystal structure of 2-oxopyrrolidin-3-yl 4-(2-phenyldiazen-1-yl)benzoate
Authors of publication	Elkin, Igor; Maris, Thierry; Melkoumov, Alexandre; Hildgen, Patrice; Banquy, Xavier; Leclair, Grégoire; Barrett, Christopher
Journal of publication	Acta Crystallographica Section E
Year of publication	2018
Journal volume	74
Journal issue	4
Pages of publication	458 - 460
a	10.2069 ± 0.0003 Å
b	6.3761 ± 0.0002 Å
c	23.2265 ± 0.0007 Å
α	90°
β	101.454 ± 0.001°
γ	90°
Cell volume	1481.48 ± 0.08 Å³
Cell temperature	150 K
Ambient diffraction temperature	150 K
Number of distinct elements	4
Space group number	5
Hermann-Mauguin space group symbol	C 1 2 1
Hall space group symbol	C 2y
Residual factor for all reflections	0.0767
Residual factor for significantly intense reflections	0.0697
Weighted residual factors for significantly intense reflections	0.1913
Weighted residual factors for all reflections included in the refinement	0.2008
Goodness-of-fit parameter for all reflections included in the refinement	1.096
Diffraction radiation wavelength	1.34139 Å
Diffraction radiation type	GaKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

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