Crystallography Open Database

Information card for entry 7246092

Preview

Coordinates	7246092.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C25 H30 Cl N5 O5
Calculated formula	C25 H30 Cl N5 O5
Title of publication	Novel salts of the antiemetic drug domperidone: synthesis, characterization and physicochemical property investigation
Authors of publication	Rekha Rout, Smruti; Kenguva, Gowtham; Giri, Lopamudra; Dandela, Rambabu
Journal of publication	CrystEngComm
Year of publication	2023
Journal volume	25
Journal issue	4
Pages of publication	513 - 524
a	11.189 ± 0.001 Å
b	11.669 ± 0.001 Å
c	12.054 ± 0.002 Å
α	102.4 ± 0.05°
β	113.18 ± 0.04°
γ	108.06 ± 0.05°
Cell volume	1269.3 ± 1.1 Å³
Cell temperature	300 ± 2 K
Ambient diffraction temperature	300 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0836
Residual factor for significantly intense reflections	0.057
Weighted residual factors for significantly intense reflections	0.1745
Weighted residual factors for all reflections included in the refinement	0.2038
Goodness-of-fit parameter for all reflections included in the refinement	1.251
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7246092.html