Crystallography Open Database

Information card for entry 7249749

Preview

Coordinates	7249749.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H28 Cl2 F3 N7 O4
Calculated formula	C26 H28 Cl2 F3 N7 O4
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	10.7304 ± 0.0009 Å
b	11.1991 ± 0.0009 Å
c	12.3605 ± 0.0008 Å
α	93.057 ± 0.006°
β	96.405 ± 0.006°
γ	99.535 ± 0.007°
Cell volume	1451.8 ± 0.2 Å³
Cell temperature	150 ± 0.1 K
Ambient diffraction temperature	150 ± 0.1 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	0.0837
Residual factor for significantly intense reflections	0.0669
Weighted residual factors for significantly intense reflections	0.182
Weighted residual factors for all reflections included in the refinement	0.2045
Goodness-of-fit parameter for all reflections included in the refinement	1.0501
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
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.	7249749.cif
297246	2025-01-10	cif/ Adding structures of 7249749, 7249750, 7249751, 7249752 via cif-deposit CGI script.	7249749.cif