Crystallography Open Database

Information card for entry 7207603

7207602 << 7207603 >> 7207604

Preview

Coordinates	7207603.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	SF41 4-pyridyl-CONH-N=CH-4-pyridyl, succinic acid dihydrate
Formula	C16 H20 N4 O7
Calculated formula	C16 H20 N4 O7
Title of publication	The effect of water molecules in stabilizing co-crystals of active pharmaceutical ingredients
Authors of publication	Aakeröy, Christer B.; Forbes, Safiyyah; Desper, John
Journal of publication	CrystEngComm
Year of publication	2012
Journal volume	14
Journal issue	7
Pages of publication	2435
a	4.8122 ± 0.0003 Å
b	8.8128 ± 0.0005 Å
c	11.0772 ± 0.0006 Å
α	75.874 ± 0.003°
β	80.095 ± 0.003°
γ	76.225 ± 0.003°
Cell volume	439.22 ± 0.04 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	0.0576
Residual factor for significantly intense reflections	0.0491
Weighted residual factors for significantly intense reflections	0.1586
Weighted residual factors for all reflections included in the refinement	0.1659
Goodness-of-fit parameter for all reflections included in the refinement	1.318
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
180407 (current)	2016-03-26	cif/7/20/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/20/76.	7207603.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7207603.cif
52045	2012-04-07	../uploads/cif-deposit/cod/cif Adding structures of 7207594, 7207595, 7207596, 7207597, 7207598, 7207599, 7207600, 7207601, 7207602, 7207603, 7207604, 7207605 via cif-deposit CGI script.	7207603.cif