Crystallography Open Database

Information card for entry 4507094

Preview

Coordinates	4507094.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	4-Hydroxybenzamide : adipic acid : H2O
Formula	C10 H14 N O5
Calculated formula	C10 H14 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	5.169 ± 0.007 Å
b	10.102 ± 0.016 Å
c	11.747 ± 0.018 Å
α	115.05 ± 0.02°
β	90.332 ± 0.013°
γ	100.638 ± 0.008°
Cell volume	543.7 ± 1.4 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0565
Residual factor for significantly intense reflections	0.0481
Weighted residual factors for significantly intense reflections	0.1315
Weighted residual factors for all reflections included in the refinement	0.1531
Goodness-of-fit parameter for all reflections included in the refinement	1.088
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4507094.html