Organizing co mmittee

(4)
was described follow: 
 
 
a
 
 

 
b 
Using modern X-ray structural analysis and the Hirshfeld surface analysis method, it is 
possible to identify an important hydrogen bond in molecular crystals. X-ray structural 
analysis of piperidin-1-yl derivative of thieno[2,3-d]pyrimidine (
4
) shows that compound was 
found to crystallize in the monoclinic system (P21, Z= 4). The piperidine ring adopts a chair 
conformation (a). Hirshfeld surface analysis of the intermolecular contacts reveal that the 
most important contributions for the crystal packing are from H∙∙∙H (52.9%), H∙∙∙C/C∙∙∙H 
(11.2%), O∙∙∙H/H∙∙∙O (9.6%), H∙∙∙S/S∙∙∙H (9.7%) and H∙∙∙N/N∙∙∙H (12.5%) (b). Also, Structure 
of synthesized compound was confirmed by IR, 
1
H and 
13
C NMR spectroscopy. 

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Poster presentation 
264 
SYNTHESIS, CRYSTAL STRUCTURE AND HIRSHFELD 
SURFACE ANALYSIS OF (1-(2-METHYL-4-NITROPHENYL)-1H-
1,2,3-TRIAZOL-4-YL) METHYL 2-HYDROXY BENZOATE
 
I.S. Ortikov
1
, M.O. Hakimov
2
, Ch.J. Elmuradov
3
, A.G. Tojiboev
4
 
1) S.Yu. Yunusov Institute of the Chemistry of Plant Substances Academy of sciences of 
the Republic of Uzbekistan st. Mirzo-Ulugbek, 77, 100170 Tashkent 
2
) Namangan State University, Namangan, 
e-mail: [e-mail]
  
3
) Karshi State University, Karshi 180119, Uzbekistan
4) University of Geological Sciences, Tashkent 
The 1,2,3-triazoles comprise an interesting class of heterocyclic compounds, with 
diverse applications in biological and material chemistry [1]. In particular, 1,2,3-
triazoles containing a carbonyl or carboxyl group in their structures have received 
considerable attention [2]. In this work, triazole derivative synthesized from 2-methyl-5-
nitrophenylazide and 2-oxypropargylbenzoates by azide-alkyne cycloaddition method in 
the presence cupper (I) salt (catalyst) [3]. The growth of suitable crystals in the latter 
study prompted the present structural analysis. 
One of the advances in modern X-ray structural analysis is the Hirshfeld surface 
analysis method [4]
 
has become an important tool in providing information about the 
contribution of weak intermolecular forces to the molecular alignment of molecular 
crystals. The crystal structure of the title compound was determined by single crystal X-
ray structural analysis (Fig. 1). In order to study intermolecular interactions in the 
crystal, Hirshfeld surface analysis was conducted. 
The Hirshfeld surface analysis 
was 
performed 
with 
Crystal 
Explorer 21.5 [4], the details of the 
pictorial output (Fig. 1). In the 
crystal, neighbouring molecules are 
linked that are part of the 
hydrogen-bonded 
chains 
are 
included with the N—H
⋯
O (2.58 
Å) and C—H
⋯
O (2.41 Å) 
interactions shown by green dashed 
lines. 
The 
Hirshfeld 
surface 
analysis 
revealed 
the 
most 
contribution to molecular parking:
H
⋯
H, H
⋯
C/C
⋯
H, O∙∙∙H/H∙∙∙O, and H
⋯
N/N
⋯
H contacts. 
In conclusion, Hirshfeld surface analysis indicates that the most important 
contributions to the crystal packing stem from H∙∙∙H (39.1%) and O∙∙∙H/H∙∙∙O (20.0%) 
interactions.