Crystallography Open Database

Information card for entry 7239106

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Structure parameters

Common name	6-nitro-2-(2-nitro-phenyl)-4-phenyl-quinazoline
Formula	C20 H12 N4 O4
Calculated formula	C20 H12 N4 O4
Title of publication	Recyclable, magnetic ionic liquid bmim[FeCl4]-catalyzed, multicomponent, solvent-free, green synthesis of quinazolines
Authors of publication	Panja, Sumit Kumar; Saha, Satyen
Journal of publication	RSC Advances
Year of publication	2013
Journal volume	3
Journal issue	34
Pages of publication	14495
a	10.7619 ± 0.0005 Å
b	7.9318 ± 0.0004 Å
c	19.9964 ± 0.001 Å
α	90°
β	96.129 ± 0.004°
γ	90°
Cell volume	1697.16 ± 0.14 Å³
Cell temperature	298 K
Ambient diffraction temperature	298 K
Number of distinct elements	4
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	0.0839
Residual factor for significantly intense reflections	0.052
Weighted residual factors for significantly intense reflections	0.1095
Weighted residual factors for all reflections included in the refinement	0.1273
Goodness-of-fit parameter for all reflections included in the refinement	1.008
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
301866 (current)	2025-08-23	Add cross-references to PubChem compounds in COD range 7/23/ Each referenced PubChem compound corresponds to the full crystal structure.	7239106.cif
244548	2019-11-28	cif/ Adding structures of 7239106, 7239107 via cif-deposit CGI script.	7239106.cif