Crystallography Open Database

Information card for entry 1558842

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Coordinates	1558842.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	Nicotineamide adipic
Formula	C12 H16 N2 O5
Calculated formula	C12 H16 N2 O5
Title of publication	Challenging the Ostwald rule of stages in mechanochemical cocrystallisation
Authors of publication	Germann, Luzia S.; Arhangelskis, Mihails; Etter, Martin; Dinnebier, Robert E.; Friščić, Tomislav
Journal of publication	Chemical Science
Year of publication	2020
a	4.9815 ± 0.0002 Å
b	30.3259 ± 0.0019 Å
c	8.9413 ± 0.0004 Å
α	90°
β	93.776 ± 0.004°
γ	90°
Cell volume	1347.82 ± 0.12 Å³
Cell temperature	295 K
Ambient diffraction temperature	295 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	0.99
Goodness-of-fit parameter for all reflections	5.79
Method of determination	powder diffraction
Diffraction radiation wavelength	1.5406 Å
Diffraction radiation type	CuKα~1~
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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