Crystallography Open Database

Information card for entry 2206920

2206919 << 2206920 >> 2206921

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Structure parameters

Chemical name	2-Methoxycarbonyl succinanilic acid
Formula	C12 H13 N O5
Calculated formula	C12 H13 N O5
SMILES	O(C(=O)c1ccccc1NC(=O)CCC(=O)O)C
Title of publication	2-(Methoxycarbonyl)succinanilic acid
Authors of publication	Shazia Anjum; M. Iqbal Choudhary; Shamsher Ali; Hoong-Kun Fun; Atta-ur-Rahman
Journal of publication	Acta Crystallographica Section E
Year of publication	2005
Journal volume	61
Journal issue	10
Pages of publication	o3520 - o3522
a	18.301 ± 0.002 Å
b	12.1788 ± 0.0015 Å
c	10.8967 ± 0.0014 Å
α	90°
β	93.001 ± 0.002°
γ	90°
Cell volume	2425.4 ± 0.5 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 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	0.0458
Residual factor for significantly intense reflections	0.0419
Weighted residual factors for significantly intense reflections	0.1087
Weighted residual factors for all reflections included in the refinement	0.1129
Goodness-of-fit parameter for all reflections included in the refinement	1.042
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

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