Crystallography Open Database

Information card for entry 7214358

Preview

Coordinates	7214358.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	2:1 pico:succ
Formula	C16 H18 N4 O6
Calculated formula	C16 H18 N4 O6
Title of publication	Can picolinamide be a promising cocrystal former?
Authors of publication	Chan, H. C. Stephen; Woollam, Grahame R.; Wagner, Trixie; Schmidt, Martin U.; Lewis, Richard A.
Journal of publication	CrystEngComm
Year of publication	2014
Journal volume	16
Journal issue	21
Pages of publication	4365
a	32.561 ± 0.01 Å
b	5.078 ± 0.002 Å
c	20.831 ± 0.006 Å
α	90°
β	105.811 ± 0.013°
γ	90°
Cell volume	3314 ± 1.9 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 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	0.0471
Residual factor for significantly intense reflections	0.0422
Weighted residual factors for significantly intense reflections	0.096
Weighted residual factors for all reflections included in the refinement	0.1006
Goodness-of-fit parameter for all reflections included in the refinement	0.92
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
180474 (current)	2016-03-26	cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/43.	7214358.cif
116182	2014-06-07	cif/ Updating files of 7214357, 7214358, 7214359, 7214360, 7214361, 7214362, 7214363, 7214364, 7214365 Original log message: Adding full bibliography for 7214357--7214365.cif.	7214358.cif
109490	2014-04-15	cif/ Adding structures of 7214357, 7214358, 7214359, 7214360, 7214361, 7214362, 7214363, 7214364, 7214365 via cif-deposit CGI script.	7214358.cif