Research Article
Synthesis, Crystal Structure, and DFT Calculations of 1,3-Diisobutyl Thiourea
Table 3
Selected bond lengths (experimental and calculated) belong to compound 1.
| | Bonded atoms | Experimental | Calculated |
| | S1–C5 | 1.698(3) | 1.7375 | | N1–C5 | 1.328(4) | 1.3665 | | N1–C4 | 1.452(4) | 1.4664 | | N2–C5 | 1.343(4) | 1.3624 | | N2–C6 | 1.455(4) | 1.4683 | | C1–C2 | 1.419(7) | 1.5385 | | C2–C4 | 1.378(6) | 1.5444 | | C2–C3 | 1.542(6) | 1.5379 | | C6–C7 | 1.488(6) | 1.5420 | | C7–C8 | 1.490(7) | 1.5409 | | C7–C9 | 1.536(6) | 1.5417 |
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