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<p style="text-align: justify;">Synthesis, crystal structure, thermal analysis and molecular interactions of bis(3,5-dimethyl-3H-1,2,4-triazole)octamolybdate</p>

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Title Statement <p style="text-align: justify;">Synthesis, crystal structure, thermal analysis and molecular interactions of bis(3,5-dimethyl-3H-1,2,4-triazole)octamolybdate</p>
 
Added Entry - Uncontrolled Name Reddy, K Hussain; Department of Chemistry, Sri Krishnadevaraya University, Anantapur Andhra Pradesh 515 006, India
C, Phanimala ; Department of Chemistry, Sri Krishnadevaraya University, Anantapur-515 006
Panchangam, Murali Krishna; Department of Chemistry, Ramaiah Institute of Technology, Bangalore 560 054, India
G N, Anil Kumar ; Department of Physics, Ramaiah Institute of Technology, Bangalore 560 054, India
UGC-BSR, Grant No. F.19-106/2013(BSR)
 
Uncontrolled Index Term Synthetic and structural inorganic chemistry
3,5-Dimethyl-4H-1,2,4-triazole, Octamolybdate, Triclinic system, Hirshfeld surface analysis
 
Summary, etc. <p style="text-align: justify;">This paper describes the synthesis of {bis(3,5-dimethyl-3H-1,2,4-triazole)octamolybdate}(2:1) molecule by mixing <strong>bis(acetylacetonato)dioxo molybdenum(VI)</strong> and 3-(E)-{1-(furan-2-yl)ethylidene)amino]-1-phenylurea. The structure of the molecule was determined by using single crystal X-ray diffraction technique. Structure determination reveals that the title complex Mo<sub>8</sub>O<sub>26</sub>.2(C<sub>4</sub>H<sub>9</sub>N<sub>3</sub>) contains two moieties namely an octamolybdate [Mo<sub>8</sub>O<sub>26</sub>] complex, and 3,5-dimethyl-1,2,4-triazole [2(C<sub>4</sub>H<sub>9</sub>N<sub>3</sub>)] in the unit cell. The [Mo<sub>8</sub>O<sub>26</sub>] unit consists of two {Mo<sub>4</sub>O<sub>13</sub>} subunits linked together by bridging oxygen atoms with an approximate C<sub>2h</sub> symmetry under Triclinic system, <em>P</em> space group with lattice parameters <em>a = </em>10.1007(2),<em> b = </em>10.3887(2),<em> c = </em>13.0380(3) Å,<em> α = </em>66.921(3)<em> β = </em>69.466(3<em>) γ </em>= 62.892(2)°. The octamolybdate units are linked by methylmethanamine as chains via N-H…O interactions. The <sup>1</sup>H-<sup>1</sup>H COSY NMR recorded in DMSO-d<sub>6</sub> spectral data indicates the absence of the coupling between the protons. The thermal analysis indicates that the complex is thermally stable. The Hirshfeld surface of the compound mapped with <em>d<sub>norm</sub></em> (-1.0 a.u. to 1.0 a.u.) and the deep red spot on the Hirshfeld surface depicts the formation of strong N-H···O hydrogen bond.</p>
 
Publication, Distribution, Etc. Indian Journal of Chemistry -Section A (IJCA)
2021-07-01 12:48:51
 
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http://op.niscair.res.in/index.php/IJCA/article/view/42165
 
Data Source Entry Indian Journal of Chemistry -Section A (IJCA); ##issue.vol## 60, ##issue.no## 5 (2021): INDIAN JOURNAL OF CHEMISTRY- SECTION A
 
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Nonspecific Relationship Entry http://op.niscair.res.in/index.php/IJCA/article/download/42165/465533815
 
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