Crystallography Open Database

Information card for entry 7220590

7220589 << 7220590 >> 7220591

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Structure parameters

Formula	C23 H14 Cl N O2
Calculated formula	C23 H14 Cl N O2
SMILES	Clc1ccc(c2c3c(nc4ccc(cc24)C)c2c(oc3=O)cccc2)cc1
Title of publication	Molecular Iodine Catalysed One-Pot Synthesis of Chromeno[4,3-b]quinolin-6-ones under Microwave Irradiation
Authors of publication	Koneni, Venkata Sashidhara; Palnati, Gopala Reddy; Singh, L. Ravithej; Upadhyay, Amit; Avula, Srinivasa Rao; kumar, Abdhesh; Kant, Ruchir
Journal of publication	Green Chem.
Year of publication	2015
a	8.686 ± 0.006 Å
b	10.371 ± 0.008 Å
c	11.293 ± 0.008 Å
α	109.138 ± 0.007°
β	111.662 ± 0.009°
γ	92.379 ± 0.009°
Cell volume	877.8 ± 1.1 Å³
Cell temperature	293 K
Ambient diffraction temperature	293 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	0.0775
Residual factor for significantly intense reflections	0.0505
Weighted residual factors for significantly intense reflections	0.1228
Weighted residual factors for all reflections included in the refinement	0.1463
Goodness-of-fit parameter for all reflections included in the refinement	0.914
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
301865 (current)	2025-08-22	Add cross-references to PubChem compounds in COD range 7/22/ Each referenced PubChem compound corresponds to the full crystal structure.	7220590.cif
171425	2015-12-10	cod/ (antanas@echidna.ibt.lt) Removing _chemical_name_systematic tags with empty values from multiple entries.	7220590.cif
137571	2015-05-30	cif/ Adding structures of 7220590 via cif-deposit CGI script.	7220590.cif