Crystallography Open Database

Information card for entry 2022763

2022762 << 2022763 >> 2022764

Preview

Coordinates	2022763.cif
Original IUCr paper	HTML

Structure parameters

Chemical name	5-(Phenylsulfonyl)-5,6-dihydrobenzo[4,5]thieno[3,2-<i>j</i>]phenanthridine
Formula	C26 H19 N O2 S2
Calculated formula	C26 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	10.3378 ± 0.0004 Å
b	19.4299 ± 0.0007 Å
c	10.5128 ± 0.0004 Å
α	90°
β	91.666 ± 0.001°
γ	90°
Cell volume	2110.73 ± 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/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0474
Residual factor for significantly intense reflections	0.0385
Weighted residual factors for significantly intense reflections	0.0988
Weighted residual factors for all reflections included in the refinement	0.1074
Goodness-of-fit parameter for all reflections included in the refinement	1.083
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
285055 (current)	2023-07-06	cif/ Updating files of 2022763, 2022764 Original log message: Adding full bibliography for 2022763--2022764.cif.	2022763.cif
283741	2023-05-13	cif/ hkl/ Adding structures of 2022763, 2022764 via cif-deposit CGI script.	2022763.cif