Crystallography Open Database

Information card for entry 7241934

7241933 << 7241934 >> 7241935

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Coordinates	7241934.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H16 N4 O2
Calculated formula	C20 H16 N4 O2
SMILES	O=C1N(/N=C/c2c(O)cccc2)C(Nc2c1cccc2)c1ncccc1
Title of publication	A novel dihydro phenylquinazolinone-based two-in-one colourimetric chemosensor for nickel(ii), copper(ii) and its copper complex for the fluorescent colourimetric nanomolar detection of the cyanide anion
Authors of publication	Sahu, Meman; Manna, Amit Kumar; Chowdhury, Shubhamoy; Patra, Goutam Kumar
Journal of publication	RSC Advances
Year of publication	2020
Journal volume	10
Journal issue	73
Pages of publication	44860 - 44875
a	6.8671 ± 0.0006 Å
b	9.1774 ± 0.0014 Å
c	14.373 ± 0.003 Å
α	108.299 ± 0.017°
β	91.374 ± 0.012°
γ	94.052 ± 0.01°
Cell volume	856.8 ± 0.2 Å³
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0718
Residual factor for significantly intense reflections	0.0469
Weighted residual factors for significantly intense reflections	0.0911
Weighted residual factors for all reflections included in the refinement	0.1047
Goodness-of-fit parameter for all reflections included in the refinement	1.0492
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
260112 (current)	2020-12-23	cif/ Adding structures of 7241934 via cif-deposit CGI script.	7241934.cif