Crystallography Open Database

Information card for entry 2022919

2022918 << 2022919 >> 2022920

Preview

Coordinates	2022919.cif
Original IUCr paper	HTML

Structure parameters

Chemical name	1-(12-Bromododecyl)indoline-2,3-dione
Formula	C20 H28 Br N O2
Calculated formula	C20 H28 Br N O2
Title of publication	Synthesis, crystal structure and Hirshfeld surface analysis of 1-(12-bromo-dodec-yl)indoline-2,3-dione.
Authors of publication	Rharmili, Nohaila; Abdellaoui, Omar; Haoudi, Amal; Mague, Joel T.; Hökelek, Tuncer; Ouazzani Chahdi, Fouad; Kandri Rodi, Youssef; Mazzah, Ahmed; Sebbar, Nada Kheira
Journal of publication	Acta crystallographica. Section E, Crystallographic communications
Year of publication	2023
Journal volume	79
Journal issue	Pt 11
Pages of publication	1033 - 1036
a	20.5385 ± 0.0005 Å
b	8.1977 ± 0.0002 Å
c	12.3185 ± 0.0003 Å
α	90°
β	105.231 ± 0.001°
γ	90°
Cell volume	2001.19 ± 0.08 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 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	0.0323
Residual factor for significantly intense reflections	0.0303
Weighted residual factors for significantly intense reflections	0.0822
Weighted residual factors for all reflections included in the refinement	0.0839
Goodness-of-fit parameter for all reflections included in the refinement	1.06
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
288146 (current)	2023-12-07	cif/ Updating files of 2022919 Original log message: Adding full bibliography for 2022919.cif.	2022919.cif
287049	2023-10-20	cif/ hkl/ Adding structures of 2022919 via cif-deposit CGI script.	2022919.cif