Crystallography Open Database

Information card for entry 7224597

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Structure parameters

Chemical name	N1-(2-carboxyphenyl)-N2-phenyloxalamide
Formula	C17 H16 N2 O6
Calculated formula	C17 H16 N2 O6
SMILES	O=C(Nc1c(cccc1)C(=O)O)C(=O)Nc1ccccc1.O=C(O)C
Title of publication	A novel acid-catalyzed rearrangement of 2-substituted-3-(2-nitrophenyl)oxiranes for the synthesis of di- and mono-oxalamides
Authors of publication	Mamedov, Vakhid A.; Mamedova, Vera L.; Khikmatova, Gul’nas Z.; Mironova, Ekaterina V.; Krivolapov, Dmitry; Bazanova, Olga B.; Chachkov, Denis V.; Katsyuba, Sergey; Rizvanov, Ildar Kh.; Latypov, Shamil Kamil'evich
Journal of publication	RSC Adv.
Year of publication	2016
a	15.397 ± 0.015 Å
b	4.991 ± 0.005 Å
c	20.26 ± 0.02 Å
α	90°
β	97.672 ± 0.013°
γ	90°
Cell volume	1543 ± 3 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 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	0.0812
Residual factor for significantly intense reflections	0.0508
Weighted residual factors for significantly intense reflections	0.1286
Weighted residual factors for all reflections included in the refinement	0.1485
Goodness-of-fit parameter for all reflections included in the refinement	1.045
Diffraction radiation probe	x-ray
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
301865 (current)	2025-08-22	Add cross-references to PubChem compounds in COD range 7/22/ Each referenced PubChem compound corresponds to the full crystal structure.	7224597.cif
178165	2016-03-12	cif/ Adding structures of 7224596, 7224597 via cif-deposit CGI script.	7224597.cif