Crystallography Open Database

Information card for entry 7249750

Preview

Coordinates	7249750.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C23 H17 Cl4 N6 O2
Calculated formula	C23 H18 Cl4 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	12.8844 ± 0.0005 Å
b	13.7991 ± 0.0008 Å
c	14.5572 ± 0.0004 Å
α	105.074 ± 0.004°
β	91.002 ± 0.003°
γ	99.969 ± 0.004°
Cell volume	2456.06 ± 0.19 Å³
Cell temperature	150 ± 0.1 K
Ambient diffraction temperature	150 ± 0.1 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	0.1084
Residual factor for significantly intense reflections	0.0935
Weighted residual factors for significantly intense reflections	0.2357
Weighted residual factors for all reflections included in the refinement	0.2462
Goodness-of-fit parameter for all reflections included in the refinement	1.049
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
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.	7249750.cif
297246	2025-01-10	cif/ Adding structures of 7249749, 7249750, 7249751, 7249752 via cif-deposit CGI script.	7249750.cif