Crystallography Open Database

Information card for entry 7055093

Preview

Coordinates	7055093.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C17 H19 N5 O5 S
Calculated formula	C17 H19 N5 O5 S
SMILES	O=S(=O)(c1ccc(cc1)NC(=O)C)NCc1nc2ccccc2c(=O)n1N.O
Title of publication	Novel stereoselective 2,3-disubstituted quinazoline-4(3H)-one derivatives derived from glycine as a potent antimalarial lead
Authors of publication	Patel, Tarosh S.; Vanparia, Satish F.; Gandhi, Sahaj A.; Patel, Urmila H.; Dixit, Ritu B.; Chudasama, Chaitanya J.; Dixit, Bharat C.
Journal of publication	New J. Chem.
Year of publication	2015
Journal volume	39
Journal issue	11
Pages of publication	8638
a	8.89 ± 0.0002 Å
b	10.3346 ± 0.0002 Å
c	11.2245 ± 0.0002 Å
α	115.313 ± 0.001°
β	95.614 ± 0.001°
γ	93.303 ± 0.001°
Cell volume	922.08 ± 0.03 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 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	0.0523
Residual factor for significantly intense reflections	0.0469
Weighted residual factors for significantly intense reflections	0.1361
Weighted residual factors for all reflections included in the refinement	0.1432
Goodness-of-fit parameter for all reflections included in the refinement	1.044
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
171317 (current)	2015-12-09	cif/ Updating files of 7055093 Original log message: Adding full bibliography for 7055093.cif.	7055093.cif
155193	2015-09-08	cif/ Adding structures of 7055093 via cif-deposit CGI script.	7055093.cif