325
Volume 5, Issue 10: Special Issue
(EJAR)
ISSN: 2181-2020
MPHAPP
THE 6TH INTERNATIONAL SCIENTIFIC AND PRACTICAL
CONFERENCE
“
MODERN PHARMACEUTICS: ACTUAL
PROBLEMS AND PROSPECTS
”
TASHKENT, OCTOBER 17, 2025
in-academy.uz
HIRSHFELD SURFACE ANALYSIS OF THE COMPLEX FORMED BY Cu (II)
NITRATE WITH 1-ETHYL-2- (ETHYLTHIO) -1H-BENZO[d]IMIDAZOLE
Kurbanbaeva G.K.
Raxmonova D.S.
National University of Uzbekistan, Tashkent city, Republic of Uzbekistan
e-mail: gulnurqurbanbaeva26@gmail.com
https://doi.org/10.5281/zenodo.17336951
The relevance of the research:
Hirschfeld surface analysis is a method that enables a more
analytical study of intermolecular interactions. This analytical technique allows for the investigation
and visualization of the size, shape, quality, and quantity of intermolecular contact surfaces in
molecular crystals.
The purpose of the research:
[Cu(L)
2
(NO
3
)
2
] kompleks birikma tarkibidagi molekulalararo
o‘zaro ta’sirlarni va ikki o‘lchovli barmoq izlari maydonlarini vizuallashtirish maqsadida Crystal
Explorer 17,5 dasturi yordamida Xirshfeld yuzasini tahlil qilish.
Methods and techniques
: Study of Hirshfeld surface analysis.
Results:
The dnorm (Figure 1) for the [Cu(L)
2
(NO
3
)
2
] complex molecule was calculated using
standard high surface precision.
a b
Figure 1. Hirshfeld surface according to d
norm
(a) and two-dimensional fingerprint plots (b)
showing the percentage contributions of all interactions for the [Cu(L)
2
(NO
3
)
2
] complex
Analysis of two-dimensional fingerprint region plots reveals that the interactions H∙∙∙H
(43.0%), C∙∙∙H/H∙∙∙C (13.3%), and O∙∙∙H/H∙∙∙O (29.7%) make the greatest contribution to the
Hirshfeld surface. The largest portion of the total surface area is occupied by H∙∙∙H interactions, which
result from the interaction between hydrogen atoms in the benzene ring and the methyl group. The
greatest contribution of the O∙∙∙H/H∙∙∙O effect is explained by the abundance of intermolecular and
intramolecular hydrogen bonds. Also, the contribution of the effects of N∙∙∙C/C∙∙∙N (1.0%) and
C∙∙∙C/C∙∙∙C (3.0%) shows a smaller share. This ensures easy and quick comprehension of
intermolecular interactions in Hirschfeld surface analysis.
Figure 2. Interaction distances of individual atoms in the crystal structure of the [Cu(L)
2
(NO
3
)
2
]
complex (two-dimensional fingerprint areas and their relative ratio at the Hirschfeld surface)
Conclusion:
To calculate the Hirschfeld surface, SIF files were processed in the Crystal
Explorer 17.5 program to view intermolecular interactions in complex compounds. Expected bright
H∙∙∙H
43,0%
С
∙∙∙
N/
N∙∙∙C
1,0%
O∙∙∙
H/H
∙∙∙
O
29,7%
С∙∙∙
H/H
∙∙∙
C 13,3%
С∙∙∙
C 3,0%
326
Volume 5, Issue 10: Special Issue
(EJAR)
ISSN: 2181-2020
MPHAPP
THE 6TH INTERNATIONAL SCIENTIFIC AND PRACTICAL
CONFERENCE
“
MODERN PHARMACEUTICS: ACTUAL
PROBLEMS AND PROSPECTS
”
TASHKENT, OCTOBER 17, 2025
in-academy.uz
red spots near atoms participating in hydrogen bonds according to dnorm are shown on the Hirschfeld
surface. Fingerprint drawings show the ratio of various interactions (types of hydrogen bonds) on the
surface.
