Crystallography Open Database

Information card for entry 7249772

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Coordinates	7249772.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C19 H16 N4 O6
Calculated formula	C19 H16 N4 O6
Title of publication	Intramolecular noncovalent C-bonding driven conformational preference in spiroisatin-based N-acyl hydrazones
Authors of publication	Ali, Muhammad Imran; Hussain, Javid; Anwar, Muhammad Usman; Al-Harrasi, Ahmed; Naseer, Muhammad Moazzam
Journal of publication	RSC Advances
Year of publication	2025
Journal volume	15
Journal issue	2
Pages of publication	1152 - 1162
a	11.3766 ± 0.0009 Å
b	15.4494 ± 0.001 Å
c	20.4864 ± 0.0017 Å
α	90°
β	90°
γ	90°
Cell volume	3600.7 ± 0.5 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	4
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0841
Residual factor for significantly intense reflections	0.0535
Weighted residual factors for significantly intense reflections	0.1154
Weighted residual factors for all reflections included in the refinement	0.1358
Goodness-of-fit parameter for all reflections included in the refinement	1.086
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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