Crystallography Open Database

Information card for entry 7214413

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Structure parameters

Chemical name	C44-Succ 4-pyridyl-CONH-(CH2)6-NHCO-4-pyridyl, succinic acid
Formula	C22 H28 N4 O6
Calculated formula	C22 H28 N4 O6
Title of publication	Altering physical properties of pharmaceutical co-crystals in a systematic manner
Authors of publication	Aakeröy, Christer B.; Forbes, Safiyyah; Desper, John
Journal of publication	CrystEngComm
Year of publication	2014
Journal volume	16
Journal issue	26
Pages of publication	5870
a	5.0275 ± 0.0006 Å
b	6.9253 ± 0.0009 Å
c	16.058 ± 0.002 Å
α	89.749 ± 0.006°
β	81.536 ± 0.005°
γ	80.893 ± 0.006°
Cell volume	545.93 ± 0.12 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 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	0.0533
Residual factor for significantly intense reflections	0.0431
Weighted residual factors for significantly intense reflections	0.1222
Weighted residual factors for all reflections included in the refinement	0.1305
Goodness-of-fit parameter for all reflections included in the refinement	1.041
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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