Crystallography Open Database

Information card for entry 2023213

2023212 << 2023213 >> 2023214

Preview

Coordinates	2023213.cif
Original IUCr paper	HTML

Structure parameters

Chemical name	[1-(4-Bromophenyl)-1<i>H</i>-1,2,3-triazol-4-yl]methyl 2-(4-nitrophenoxy)acetate
Formula	C17 H13 Br N4 O5
Calculated formula	C17 H13 Br N4 O5
Title of publication	Synthesis, crystal structure and Hirshfeld surface analysis of [1-(4-bromophenyl)-1H-1,2,3-triazol-4-yl]methyl 2-(4-nitrophenoxy)acetate
Authors of publication	Hakimov, Muminjon; Khozhimatova, Shakhnoza; Ortikov, Ilkhomjon; Abdugafurov, Ibragimdjan; Tojiboev, Akmaljon
Journal of publication	Acta Crystallographica Section E Crystallographic Communications
Year of publication	2024
Journal volume	80
Journal issue	8
Pages of publication	910 - 912
a	17.3468 ± 0.0003 Å
b	10.40583 ± 0.00019 Å
c	9.87841 ± 0.00016 Å
α	90°
β	99.4243 ± 0.0016°
γ	90°
Cell volume	1759.06 ± 0.05 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 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	0.0439
Residual factor for significantly intense reflections	0.0352
Weighted residual factors for significantly intense reflections	0.0878
Weighted residual factors for all reflections included in the refinement	0.0939
Goodness-of-fit parameter for all reflections included in the refinement	1.061
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
293618 (current)	2024-08-01	cif/ Adding structures of 2023213 via cif-deposit CGI script.	2023213.cif