Crystallography Open Database

Information card for entry 8105487

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Coordinates	8105487.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C12 H14 N2 O6
Calculated formula	C12 H14 N2 O6
Title of publication	Crystal structure of 4-[(4-methoxy-2-nitrophenyl)carbamoyl]butanoic acid, C12H14N2O6
Authors of publication	Hanifa, Bibi; Sirajuddin, Muhammad; Lo, Kong Mun; Tiekink, Edward R.T.
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2020
Journal volume	235
Journal issue	6
Pages of publication	1435 - 1437
a	4.8835 ± 0.0004 Å
b	9.2111 ± 0.0007 Å
c	14.6655 ± 0.0007 Å
α	76.135 ± 0.005°
β	82.693 ± 0.006°
γ	87.379 ± 0.007°
Cell volume	635.19 ± 0.08 Å³
Cell temperature	293 ± 1 K
Ambient diffraction temperature	293 ± 1 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0507
Residual factor for significantly intense reflections	0.0449
Weighted residual factors for significantly intense reflections	0.1229
Weighted residual factors for all reflections included in the refinement	0.1297
Goodness-of-fit parameter for all reflections included in the refinement	1.043
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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