Crystallography Open Database

Information card for entry 2022764

2022763 << 2022764 >> 2022765

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Coordinates	2022764.cif
Original IUCr paper	HTML

Structure parameters

Chemical name	(<i>E</i>)-<i>N</i>-{2-[2-(Benzo[<i>b</i>]thiophen-2-yl)ethenyl]phenyl}-\ <i>N</i>-(prop-2-yn-1-yl)benzenesulfonamide
Formula	C25 H19 N O2 S2
Calculated formula	C25 H19 N O2 S2
Title of publication	The synthesis, crystal structure and Hirshfeld surface analysis of the thio-phene derivatives 5-(phenyl-sulfon-yl)-5,6-di-hydro-benzo[4,5]thieno[3,2-<i>j</i>]phenanthridine and (<i>E</i>)-<i>N</i>-{2-[2-(benzo[<i>b</i>]thiophen-2-yl)ethenyl]phen-yl}-<i>N</i>-(prop-2-yn-1-yl)benzene-sulfonamide.
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	Pt 6
Pages of publication	521 - 525
a	10.0085 ± 0.0004 Å
b	8.6474 ± 0.0003 Å
c	24.9024 ± 0.001 Å
α	90°
β	91.56 ± 0.002°
γ	90°
Cell volume	2154.44 ± 0.14 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 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	0.0598
Residual factor for significantly intense reflections	0.053
Weighted residual factors for significantly intense reflections	0.1645
Weighted residual factors for all reflections included in the refinement	0.1758
Goodness-of-fit parameter for all reflections included in the refinement	1.081
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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