Crystallography Open Database

Information card for entry 1545548

Preview

Coordinates	1545548.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C21 H23 Cl F N O2
Calculated formula	C21 H23 Cl F N O2
SMILES	c1(ccc(cc1)C1(CCN(CC1)CCCC(=O)c1ccc(cc1)F)O)Cl
Title of publication	Continuous Preparation of 1:1 Haloperidol-Maleic Acid Salt by a Novel Solvent-Free Method Using a Twin Screw Melt Extruder.
Authors of publication	Lee, Hung Lin; Vasoya, Jaydip M.; Cirqueira, Marilia de Lima; Yeh, Kuan Lin; Lee, Tu; Serajuddin, Abu T. M.
Journal of publication	Molecular pharmaceutics
Year of publication	2017
Journal volume	14
Journal issue	4
Pages of publication	1278 - 1291
a	7.7503 ± 0.0003 Å
b	8.9174 ± 0.0004 Å
c	26.8821 ± 0.0011 Å
α	90°
β	90.435 ± 0.002°
γ	90°
Cell volume	1857.84 ± 0.13 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0422
Residual factor for significantly intense reflections	0.0349
Weighted residual factors for significantly intense reflections	0.0949
Weighted residual factors for all reflections included in the refinement	0.1051
Goodness-of-fit parameter for all reflections included in the refinement	1.088
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
194862 (current)	2017-04-04	cif/ Updating files of 1545548 Original log message: Adding full bibliography for 1545548.cif.	1545548.cif
194170	2017-03-11	cif/ Adding structures of 1545548 via cif-deposit CGI script.	1545548.cif