Crystallography Open Database

Information card for entry 2022824

2022823 << 2022824 >> 2022825

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Structure parameters

Chemical name	(<i>E</i>)-<i>N</i>-{2-[2-(Benzo[<i>b</i>]thiophen-2-yl)ethenyl]-5-fluorophenyl}-<i>N</i>-(but-2-yn-1-yl)benzenesulfonamide
Formula	C26 H20 F N O2 S2
Calculated formula	C26 H20 F N O2 S2
Title of publication	Crystal-structure determination and Hirshfeld surface analysis of two new thiophene derivatives: (E)-N-{2-[2-(benzo[b]thiophen-2-yl)ethenyl]-5-fluorophenyl}benzenesulfonamide and (E)-N-{2-[2-(benzo[b]thiophen-2-yl)ethenyl]-5-fluorophenyl}-N-(but-2-yn-1-yl)benzenesulfonamide
Authors of publication	Madhan, S.; NizamMohideen, M.; Pavunkumar, Vinayagam; MohanaKrishnan, Arasambattu K.
Journal of publication	Acta Crystallographica Section E Crystallographic Communications
Year of publication	2023
Journal volume	79
Journal issue	8
a	9.3517 ± 0.0003 Å
b	31.7075 ± 0.0011 Å
c	8.6063 ± 0.0003 Å
α	90°
β	115.179 ± 0.002°
γ	90°
Cell volume	2309.45 ± 0.14 Å³
Cell temperature	297 ± 2 K
Ambient diffraction temperature	297 ± 2 K
Number of distinct elements	6
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	0.1353
Residual factor for significantly intense reflections	0.0659
Weighted residual factors for significantly intense reflections	0.1661
Weighted residual factors for all reflections included in the refinement	0.2324
Goodness-of-fit parameter for all reflections included in the refinement	0.998
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

Version history

Revision	Date	Message	Files
285320 (current)	2023-07-22	cif/ hkl/ Adding structures of 2022823, 2022824 via cif-deposit CGI script.	2022824.cif 2022824.hkl