Crystallography Open Database

Information card for entry 2023450

2023449 << 2023450 >> 2023451

Preview

Coordinates	2023450.cif
Original IUCr paper	HTML

Structure parameters

Chemical name	Aqua(1<i>H</i>-imidazole-κ<i>N</i>^3^)[<i>N</i>-(2-oxidobenzylidene)threonato-κ^3^<i>O</i>,<i>N</i>,<i>O</i>']zinc(II)
Formula	C14 H17 N3 O5 Zn
Calculated formula	C14 H17 N3 O5 Zn
Title of publication	Crystal structure and Hirshfeld surface analysis of aqua-(1<i>H</i>-imidazole-κ<i>N</i> <sup>3</sup>)[<i>N</i>-(2-oxido-benzyl-idene)threonato-κ<sup>3</sup> <i>O</i>,<i>N</i>,<i>O</i>']zinc(II).
Authors of publication	Yoshizawa, Fumishi; Okui, Anna; Nakane, Daisuke; Akitsu, Takashiro
Journal of publication	Acta crystallographica. Section E, Crystallographic communications
Year of publication	2025
Journal volume	81
Journal issue	Pt 4
Pages of publication	332 - 335
a	18.3835 ± 0.0007 Å
b	7.7141 ± 0.0003 Å
c	13.38 ± 0.0005 Å
α	90°
β	123.787 ± 0.001°
γ	90°
Cell volume	1576.99 ± 0.11 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	5
Space group number	5
Hermann-Mauguin space group symbol	C 1 2 1
Hall space group symbol	C 2y
Residual factor for all reflections	0.0319
Residual factor for significantly intense reflections	0.0316
Weighted residual factors for significantly intense reflections	0.0737
Weighted residual factors for all reflections included in the refinement	0.074
Goodness-of-fit parameter for all reflections included in the refinement	1.067
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
299519 (current)	2025-05-03	cif/ Updating files of 2023450 Original log message: Adding full bibliography for 2023450.cif.	2023450.cif
298598	2025-03-26	cif/ Adding structures of 2023450 via cif-deposit CGI script.	2023450.cif