Crystallography Open Database

Information card for entry 7063426

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Coordinates	7063426.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C25 H19 Cl2 N3 O2
Calculated formula	C25 H19 Cl2 N3 O2
Title of publication	Convenient synthesis of spiro-pyrazolone–pyrrolidinones via ipso-cyclization of arylidene pyrazolones with 2-chloro-N-phenylacetamides
Authors of publication	Gond, Kavyashree Kuppayya; Maddani, Mahagundappa Rachappa
Journal of publication	New Journal of Chemistry
Year of publication	2024
Journal volume	48
Journal issue	36
Pages of publication	15866 - 15869
a	13.1578 ± 0.0001 Å
b	7.9741 ± 0.0001 Å
c	20.9819 ± 0.0002 Å
α	90°
β	91.086 ± 0.001°
γ	90°
Cell volume	2201.06 ± 0.04 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0411
Residual factor for significantly intense reflections	0.0358
Weighted residual factors for significantly intense reflections	0.0926
Weighted residual factors for all reflections included in the refinement	0.0963
Goodness-of-fit parameter for all reflections included in the refinement	1.068
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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