Crystallography Open Database

Information card for entry 2023465

2023464 << 2023465 >> 2023466

Preview

Coordinates	2023465.cif
Original IUCr paper	HTML

Structure parameters

Chemical name	4-Amino-<i>N</i>'-[(1<i>E</i>)-1-(3-hydroxyphenyl)ethylidene]benzohydrazide
Formula	C15 H15 N3 O2
Calculated formula	C15 H15 N3 O2
SMILES	O=C(N/N=C(C)/c1cc(O)ccc1)c1ccc(N)cc1
Title of publication	Crystal structure, Hirshfeld surface analysis and DFT studies of 4-amino-<i>N</i>'-[(1<i>E</i>)-1-(3-hy-droxyphen-yl)ethyl-idene]benzohydrazide.
Authors of publication	Maheswari, Subramani Uma; Senthilkumar, Srinivasan; Selvanayagam, Sivashanmugam
Journal of publication	Acta crystallographica. Section E, Crystallographic communications
Year of publication	2025
Journal volume	81
Journal issue	Pt 5
Pages of publication	389 - 392
a	8.3562 ± 0.0004 Å
b	9.2666 ± 0.0004 Å
c	9.9151 ± 0.0004 Å
α	76.685 ± 0.002°
β	65.316 ± 0.001°
γ	84.909 ± 0.002°
Cell volume	678.83 ± 0.05 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 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	0.0678
Residual factor for significantly intense reflections	0.0495
Weighted residual factors for significantly intense reflections	0.1191
Weighted residual factors for all reflections included in the refinement	0.1336
Goodness-of-fit parameter for all reflections included in the refinement	1.052
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
299934 (current)	2025-06-03	cif/ Updating files of 2023465 Original log message: Adding full bibliography for 2023465.cif.	2023465.cif
299233	2025-04-09	cif/ Adding structures of 2023465 via cif-deposit CGI script.	2023465.cif