Crystallography Open Database

Information card for entry 2015941

2015940 << 2015941 >> 2015942

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Structure parameters

Common name	4-aminobenzoic acid bis(L-proline)
Chemical name	4-Aminobenzoic acid‒L-proline (1/2) monohydrate
Formula	C17 H27 N3 O7
Calculated formula	C17 H27 N3 O7
Title of publication	Hydrogen-bonding features in the 1:2 adduct of 4-aminobenzoic acid and <small>L</small>-proline
Authors of publication	S. Athimoolam; S. Natarajan
Journal of publication	Acta Crystallographica Section C
Year of publication	2007
Journal volume	63
Journal issue	5
Pages of publication	o283 - o286
a	9.8171 ± 0.0006 Å
b	10.4167 ± 0.0011 Å
c	10.1713 ± 0.0012 Å
α	90°
β	112.078 ± 0.009°
γ	90°
Cell volume	963.87 ± 0.17 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0522
Residual factor for significantly intense reflections	0.044
Weighted residual factors for significantly intense reflections	0.109
Weighted residual factors for all reflections included in the refinement	0.1149
Goodness-of-fit parameter for all reflections included in the refinement	1.086
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	Yes

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