Crystallography Open Database

Information card for entry 4507093

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Structure parameters

Common name	4-Hydroxybenzamide : glutaric acid form II (2:1)
Formula	C19 H22 N2 O8
Calculated formula	C19 H22 N2 O8
SMILES	Oc1ccc(C(=O)N)cc1.O=C(N)c1ccc(O)cc1.OC(=O)CCCC(=O)O
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	22.27 ± 0.005 Å
b	5.17 ± 0.001 Å
c	33.69 ± 0.007 Å
α	90°
β	92.33 ± 0.03°
γ	90°
Cell volume	3875.7 ± 1.4 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 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	0.1313
Residual factor for significantly intense reflections	0.0849
Weighted residual factors for significantly intense reflections	0.1907
Weighted residual factors for all reflections included in the refinement	0.2287
Goodness-of-fit parameter for all reflections included in the refinement	1.092
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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