Crystallography Open Database

Information card for entry 7221867

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Structure parameters

Formula	C21 H17 N3 O4 S
Calculated formula	C21 H17 N3 O4 S
SMILES	S(=O)(=O)(Nc1noc(C)c1)c1ccc(/N=C/c2c(O)ccc3ccccc23)cc1
Title of publication	Fluorescence sensing and intracellular imaging of Al3+ ions by using naphthyl appended sulfonamide chemosensor : structure, computation and biological studies
Authors of publication	Sinha, Chittaranjan; Mondal, Sudipa; Ojha, Durbadal; Mondal, Tapan K.; Chattopadhyay, Debprasad; Bhanja, Anup Kumar
Journal of publication	RSC Adv.
Year of publication	2015
a	8.371 ± 0.0005 Å
b	10.0074 ± 0.0006 Å
c	12.816 ± 0.0008 Å
α	67.264 ± 0.004°
β	80.722 ± 0.005°
γ	86.904 ± 0.005°
Cell volume	977.2 ± 0.11 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 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	0.1198
Residual factor for significantly intense reflections	0.0602
Weighted residual factors for significantly intense reflections	0.139
Weighted residual factors for all reflections included in the refinement	0.1661
Goodness-of-fit parameter for all reflections included in the refinement	0.989
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
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.	7221867.cif
176428	2016-02-13	Replaced deprecated COD CIF data names with their more modern alternatives. The _cod_cif_authors_sg_Hall and _cod_cif_authors_sg_H-M data items were renamed to _cod_original_sg_symbol_Hall and _cod_cif_authors_sg_H-M respectively.	7221867.cif
153644	2015-08-25	cif/ Adding structures of 7221867 via cif-deposit CGI script.	7221867.cif