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Structural and Spectral Studies of Some Geometric Isomers of N-Pivaloyl-Nˊ-dichlorophenyl Thiourea

Structural and Spectral Studies of Some Geometric Isomers of N-Pivaloyl-Nˊ-dichlorophenyl Thiourea
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摘要 N-pivaloyl-Nˊ-(3,4-dichlorophenyl)thiourea (1): monoclinic, P21/a, a=11.57(1), b=9.278(8), c=13.51(1), β=103.85(1)°, V=1408(2)3 , Z=4, μ=0.598 mm-1 ; N-pivaloyl-N'-(3,5- dichlorophenyl)thiourea (2): monoclinic, P21/a, a=7.176(2), b=16.441(4), c=11.923(2), β=92.48(1)°, V=1405.3(6)3 , Z=4, μ=0.600 mm-1 ; N-pivaloyl-Nˊ-(2,6-dichlorophenyl)thiourea (3): orthorhombic, Pnma, a=26.79(1), b=8.780(4), c=5.955(3), V=1400.7(11)3 , Z=4, μ=0.601 mm-1 . All three complexes have an intramolecular hydrogen bond between NˊH and the carbonyl oxygen. Solution 1H NMR studies (CDCl3) show the NH resonance considerable downfield for each thiourea and their positions, as well as that of NH, is affected by substituents on the phenyl ring. N-pivaloyl-Nˊ-(3,4-dichlorophenyl)thiourea (1): monoclinic, P21/a, a=11.57(1), b=9.278(8), c=13.51(1), β=103.85(1)°, V=1408(2)3 , Z=4, μ=0.598 mm-1 ; N-pivaloyl-N'-(3,5- dichlorophenyl)thiourea (2): monoclinic, P21/a, a=7.176(2), b=16.441(4), c=11.923(2), β=92.48(1)°, V=1405.3(6)3 , Z=4, μ=0.600 mm-1 ; N-pivaloyl-Nˊ-(2,6-dichlorophenyl)thiourea (3): orthorhombic, Pnma, a=26.79(1), b=8.780(4), c=5.955(3), V=1400.7(11)3 , Z=4, μ=0.601 mm-1 . All three complexes have an intramolecular hydrogen bond between NˊH and the carbonyl oxygen. Solution 1H NMR studies (CDCl3) show the NH resonance considerable downfield for each thiourea and their positions, as well as that of NH, is affected by substituents on the phenyl ring.
出处 《Chinese Journal of Structural Chemistry》 SCIE CAS CSCD 2013年第3期349-356,共8页 结构化学(英文)
基金 the Quaid-I-Azam University,Islamabad,Pakistan for Post-doctoral Fellowship and financial support
关键词 pivaloyl thioureas single-crystal XRD-studies hydrogen bonds spectral studies mirror plane pivaloyl thioureas, single-crystal XRD-studies, hydrogen bonds, spectral studies, mirror plane
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参考文献12

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