Crystallography Open Database

Information card for entry 8105510

Preview

Coordinates	8105510.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C12 H15 N O4
Calculated formula	C12 H15 N O4
Title of publication	Crystal structure of 4-[(3-methoxyphenyl)carbamoyl]butanoic acid, C12H15NO4
Authors of publication	Sirajuddin, Muhammad; Hanifa, Bibi; Ullah, Sharif; 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	1519 - 1521
a	5.0167 ± 0.0002 Å
b	7.9264 ± 0.0005 Å
c	15.2073 ± 0.0007 Å
α	98.909 ± 0.004°
β	92.06 ± 0.004°
γ	101.8 ± 0.004°
Cell volume	583.36 ± 0.05 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 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	0.0488
Residual factor for significantly intense reflections	0.0403
Weighted residual factors for significantly intense reflections	0.1053
Weighted residual factors for all reflections included in the refinement	0.1179
Goodness-of-fit parameter for all reflections included in the refinement	1.093
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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