Crystallography Open Database

Information card for entry 4507096

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Coordinates	4507096.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	4-Hydroxybenzamide : sebacic acid : H2O (2:1:2)
Formula	C12 H18 N O5
Calculated formula	C12 H18 N O5
Title of publication	Synthon Modularity in 4-Hydroxybenzamide‒Dicarboxylic Acid Cocrystals
Authors of publication	Tothadi, Srinu; Desiraju, Gautam R.
Journal of publication	Crystal Growth & Design
Year of publication	2012
Journal volume	12
Journal issue	12
Pages of publication	6188
a	12.049 ± 0.003 Å
b	5.0649 ± 0.001 Å
c	23.609 ± 0.005 Å
α	90°
β	115.675 ± 0.013°
γ	90°
Cell volume	1298.5 ± 0.5 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0922
Residual factor for significantly intense reflections	0.0627
Weighted residual factors for significantly intense reflections	0.1528
Weighted residual factors for all reflections included in the refinement	0.1945
Goodness-of-fit parameter for all reflections included in the refinement	1.137
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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