322
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 CRYSTAL STRUCTURE OF THE
COMPLEX COMPOUND OF Cu (II) NITRATE BASED ON THE 2,5-DI
(METHYLTHIO) -1,3,4-THIADIAZOLE LIGAND
Uzakbe geno a G.P.
Daule bae a D.
To ambe o B.S.
Kadi o a Sh.A.
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.17336913
Rele ance: Cu en ly, he Hi sh eld su ace analysis me hod is widely used o iden i y
in e molecula in e ac ions in he c ys al s uc u e o compounds and o s udy hei impac on he
s abili y o he c ys al la ice. The heo e ical da a ob ained h ough his me hod a e yielding good
esul s in s udying he p ac ical p ope ies o c ys als. The e o e, in es iga ing he s uc u e o his
complex using his me hod is one o he u gen scien i ic issues o he esea ch.
Resea ch objec i e: To quan i a i ely and quali a i ely de e mine he molecula in e ac ions
o he coppe ni a e complex [CuL2(NO3)2] o med wi h he ligand 2,5-di (me hyl hio) -1,3,4-
hiadiazole (L) using Hi sh eld su ace analysis o i s c ys al s uc u e.
Me hods and echniques: Hi sh eld su ace analysis was conduc ed using he C ys al Explo e
17.5 p og am o isualize he in e molecula in e ac ions in he c ys al s uc u e. Two-dimensional
inge p in plo s we e calcula ed as pa o his analysis.
On he Hi sh eld su ace, poin s wi h low impac a e colo ed blue, while colo s anging om
g een o ed indica e poin s wi h high impac .
Fo he [CuL2 (NO3) 2] molecule, he Hi sh eld su ace dno m was calcula ed using s anda d
high su ace p ecision (Figu e 1).
Figu e 1. (a) Hi sch eld su ace o he [CuL2(NO3) 2] complex acco ding o dno m and (b) wo-
dimensional inge p in a eas indica ing he pe cen age con ibu ions o all in e ac ions.
Acco ding o he esul s o he analysis o wo-dimensional inge p in egion d awings, i was
es ablished ha he in e ac ions O∙∙∙H/H∙∙∙O (31.4%), S∙∙∙H/N∙∙∙S (19.7%), H∙∙∙H (11%), make he
la ges con ibu ion o he Hi sch eld su ace.
Resul : The la ges sha e o he o al su ace L is ep esen ed on he inge p in map as edged
wings wi h 31.4% sha e o o al in e ac ions o O∙∙∙H/H∙∙∙O in e ac ions o med as a esul o he
in e ac ion o hyd ogen a oms in he me hyl g oup wi h oxygen a oms o neighbo ing molecules.
The g ea es con ibu ion o he in luence o O∙∙∙H/H∙∙∙O on he Hi sch eld su ace 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 S∙∙∙O/ O...S (3.9%) and N∙∙∙H/H∙∙∙N (3.5%) shows a smalle sha e (Fig2).
323
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
Figu e 2. The in e ac ion dis ances o indi idual a oms in he c ys al s uc u e o he [CuL2
(NO3) 2] complex ( wo-dimensional inge p in a eas and hei ela i e a io a he Hi sch eld
su ace) we e s udied.
Conclusion: I was ound ha he a ea o inge p in s in he [CuL2(NO3)2] complex has he
highes in e ac ions O∙∙∙H/H∙∙∙O (31.4%). This a ec s he s abili y o he c ys alline a angemen o
he molecula s uc u e.
