Crystallography Open Database

Information card for entry 7249752

Preview

Coordinates	7249752.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C23 H17 Cl2 F3 N6 O2
Calculated formula	C23 H17 Cl2 F3 N6 O2
Title of publication	Exploring the solubility of novel lamotrigine drug–drug salts: the role of pH and structural variability
Authors of publication	Yu, Xinyi; Li, Jianting; Wu, Chenyu; Yang, Dezhi; Li, Liang; Lu, Yang; Zhou, Zhengzheng
Journal of publication	CrystEngComm
Year of publication	2025
Journal volume	27
Journal issue	6
Pages of publication	820 - 832
a	9.2015 ± 0.0009 Å
b	11.6771 ± 0.0007 Å
c	14.8897 ± 0.001 Å
α	73.59 ± 0.006°
β	76.902 ± 0.007°
γ	88.509 ± 0.006°
Cell volume	1493.5 ± 0.2 Å³
Cell temperature	149.9 ± 0.2 K
Ambient diffraction temperature	149.9 ± 0.2 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	0.0878
Residual factor for significantly intense reflections	0.072
Weighted residual factors for significantly intense reflections	0.1978
Weighted residual factors for all reflections included in the refinement	0.2132
Goodness-of-fit parameter for all reflections included in the refinement	1.0409
Diffraction radiation probe	x-ray
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
298199 (current)	2025-03-04	cif/ Updating files of 7249749, 7249750, 7249751, 7249752 Original log message: Adding full bibliography for 7249749--7249752.cif.	7249752.cif
297246	2025-01-10	cif/ Adding structures of 7249749, 7249750, 7249751, 7249752 via cif-deposit CGI script.	7249752.cif