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
Ku banbae a G.K.
Raxmono a D.S.
Na ional Uni e si y o Uzbekis an, Tashken ci y, Republic o Uzbekis an
e-mail: [email p o ec ed]
h ps://doi.o g/10.5281/zenodo.17336951
The ele ance o he esea ch: Hi sch eld su ace analysis is a me hod ha enables a mo e
analy ical s udy o in e molecula in e ac ions. This analy ical echnique allows o he in es iga ion
and isualiza ion o he size, shape, quali y, and quan i y o in e molecula con ac su aces in
molecula c ys als.
The pu pose o he esea ch: [Cu(L)2(NO3)2] kompleks bi ikma a kibidagi molekulala a o
o‘za o a’si la ni a ikki o‘lcho li ba moq izla i maydonla ini izuallash i ish maqsadida C ys al
Explo e 17,5 das u i yo damida Xi sh eld yuzasini ahlil qilish.
Me hods and echniques: S udy o Hi sh eld su ace analysis.
Resul s: The dno m (Figu e 1) o he [Cu(L)2(NO3)2] complex molecule was calcula ed using
s anda d high su ace p ecision.
a b
Figu e 1. Hi sh eld su ace acco ding o dno m (a) and wo-dimensional inge p in plo s (b)
showing he pe cen age con ibu ions o all in e ac ions o he [Cu(L)2(NO3)2] complex
Analysis o wo-dimensional inge p in egion plo s e eals ha he in e ac ions H∙∙∙H
(43.0%), C∙∙∙H/H∙∙∙C (13.3%), and O∙∙∙H/H∙∙∙O (29.7%) make he g ea es con ibu ion o he
Hi sh eld su ace. The la ges po ion o he o al su ace a ea is occupied by H∙∙∙H in e ac ions, which
esul om he in e ac ion be ween hyd ogen a oms in he benzene ing and he me hyl g oup. The
g ea es con ibu ion o he O∙∙∙H/H∙∙∙O e ec is explained by he abundance o in e molecula and
in amolecula hyd ogen bonds. Also, he con ibu ion o he e ec s o N∙∙∙C/C∙∙∙N (1.0%) and
C∙∙∙C/C∙∙∙C (3.0%) shows a smalle sha e. This ensu es easy and quick comp ehension o
in e molecula in e ac ions in Hi sch eld su ace analysis.
Figu e 2. In e ac ion dis ances o indi idual a oms in he c ys al s uc u e o he [Cu(L)2(NO3)2]
complex ( wo-dimensional inge p in a eas and hei ela i e a io a he Hi sch eld su ace)
Conclusion: To calcula e he Hi sch eld su ace, SIF iles we e p ocessed in he C ys al
Explo e 17.5 p og am o iew in e molecula in e ac ions in complex compounds. Expec ed b igh
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
ed spo s nea a oms pa icipa ing in hyd ogen bonds acco ding o dno m a e shown on he Hi sch eld
su ace. Finge p in d awings show he a io o a ious in e ac ions ( ypes o hyd ogen bonds) on he
su ace.
