Crystallography Open Database

Information card for entry 8105166

Preview

Coordinates	8105166.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C8 H7 N O4
Calculated formula	C8 H7 N O4
Title of publication	The crystal structure of 2-aminoisophthalic acid, C8H7NO4
Authors of publication	Cai, Bin; Zhu, Meng-En; Meng, Yu-Ning; Li, Kun
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2020
Journal volume	235
Journal issue	3
Pages of publication	543 - 544
a	4.9752 ± 0.0011 Å
b	14.167 ± 0.003 Å
c	10.999 ± 0.002 Å
α	90°
β	99.066 ± 0.005°
γ	90°
Cell volume	765.6 ± 0.3 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150.01 K
Number of distinct elements	4
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0837
Residual factor for significantly intense reflections	0.0571
Weighted residual factors for significantly intense reflections	0.1495
Weighted residual factors for all reflections included in the refinement	0.163
Goodness-of-fit parameter for all reflections included in the refinement	1.115
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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