Crystallography Open Database

Information card for entry 7231309

Preview

Coordinates	7231309.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Indapamide-1,2-Bis(4-pyridyl)ethylene cocrystal monohydrate
Chemical name	4-chloro-N-(2-methyl-2,3-dihydroindol-1-yl)-3-sulfamoylbenzamide-4-[(E)-2-pyridin-4-ylethenyl]pyridine-hydrate
Formula	C28 H28 Cl N5 O4 S
Calculated formula	C28 H28 Cl N5 O4 S
Title of publication	Role of hydrogen bonding in cocrystals and coamorphous solids: indapamide as a case study
Authors of publication	Allu, Suryanarayana; Suresh, Kuthuru; Bolla, Geetha; Mannava, M. K. Chaitanya; Nangia, Ashwini
Journal of publication	CrystEngComm
Year of publication	2019
Journal volume	21
Journal issue	13
Pages of publication	2043
a	12.2238 ± 0.0002 Å
b	14.8267 ± 0.0003 Å
c	16.2328 ± 0.0003 Å
α	93.228 ± 0.001°
β	107.264 ± 0.001°
γ	90.122 ± 0.001°
Cell volume	2804.46 ± 0.09 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1217
Residual factor for significantly intense reflections	0.0717
Weighted residual factors for significantly intense reflections	0.1596
Weighted residual factors for all reflections included in the refinement	0.1793
Goodness-of-fit parameter for all reflections included in the refinement	1.103
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
223639 (current)	2019-11-07	cif/ Updating files of 7231305, 7231306, 7231307, 7231308, 7231309 Original log message: Adding full bibliography for 7231305--7231309.cif.	7231309.cif
209460	2018-08-08	cif/ Adding structures of 7231305, 7231306, 7231307, 7231308, 7231309 via cif-deposit CGI script.	7231309.cif