Crystallography Open Database

Information card for entry 2023326

2023325 << 2023326 >> 2023327

Preview

Coordinates	2023326.cif
Original IUCr paper	HTML

Structure parameters

Chemical name	(2<i>E</i>)-3-[4-(Diphenylamino)phenyl]-1-[4-(prop-1-yn-2-yloxy)phenyl]prop-2-en-1-one
Formula	C30 H23 N O2
Calculated formula	C30 H23 N O2
Title of publication	Crystal structure and Hirshfeld surface analysis of the chalcone derivative (2E)-3-[4-(diphenylamino)phenyl]-1-[4-(prop-1-yn-2-yloxy)phenyl]prop-2-en-1-one
Authors of publication	Madhan, Sundarasamy; Nizam Mohideen, Mohamed Hanifa; Viswanathan, Vijayan; Velmurugan, Devadasan
Journal of publication	Acta Crystallographica Section E Crystallographic Communications
Year of publication	2025
Journal volume	81
Journal issue	1
a	9.6337 ± 0.0001 Å
b	9.8825 ± 0.0002 Å
c	12.8446 ± 0.0003 Å
α	87.546 ± 0.002°
β	86.605 ± 0.001°
γ	70.914 ± 0.003°
Cell volume	1153.26 ± 0.04 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0573
Residual factor for significantly intense reflections	0.0416
Weighted residual factors for significantly intense reflections	0.1079
Weighted residual factors for all reflections included in the refinement	0.1202
Goodness-of-fit parameter for all reflections included in the refinement	1.033
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
296251 (current)	2024-12-06	cif/ Adding structures of 2023326 via cif-deposit CGI script.	2023326.cif