Crystallography Open Database

Information card for entry 2023081

2023080 << 2023081 >> 2023082

Preview

Coordinates	2023081.cif
Original IUCr paper	HTML

Structure parameters

Chemical name	5-Hydroxypentanehydrazide
Formula	C5 H12 N2 O2
Calculated formula	C5 H12 N2 O2
SMILES	O=C(NN)CCCCO
Title of publication	Crystal structure and Hirshfeld surface analysis of 5-hydroxypentanehydrazide
Authors of publication	Justen, Guilherme Augusto; Carneiro Neto, José Severiano; Sousa Santana, Francielli; Leiriane Batistel Ribas, Maria; Gomes da Silva de Paula, Felipe; Dario, Priscila Paola; Gonçalves Montes D'Oca, Marcelo
Journal of publication	Acta Crystallographica Section E Crystallographic Communications
Year of publication	2024
Journal volume	80
Journal issue	5
a	7.1686 ± 0.0005 Å
b	4.8491 ± 0.0003 Å
c	19.1276 ± 0.0014 Å
α	90°
β	90°
γ	90°
Cell volume	664.9 ± 0.08 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	4
Space group number	29
Hermann-Mauguin space group symbol	P c a 21
Hall space group symbol	P 2c -2ac
Residual factor for all reflections	0.023
Residual factor for significantly intense reflections	0.022
Weighted residual factors for significantly intense reflections	0.0583
Weighted residual factors for all reflections included in the refinement	0.0587
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
291157 (current)	2024-04-10	cif/ Adding structures of 2023081 via cif-deposit CGI script.	2023081.cif