The title compound 2-(4-fluorophenylamino)-2-thiomethyl acetophe-none (C15H14FNOS, M. = 275. 34 ) was synthesized by the reaction of 2-hydroxy-2-thiomethyl acetohenone (abenzoylhemithioacetal ) with 4-fluoroaniline. T...The title compound 2-(4-fluorophenylamino)-2-thiomethyl acetophe-none (C15H14FNOS, M. = 275. 34 ) was synthesized by the reaction of 2-hydroxy-2-thiomethyl acetohenone (abenzoylhemithioacetal ) with 4-fluoroaniline. The crystal ismonoclinic, space group P21/n. with unit cell constants a = 12. 434 (4 ), b = 6. 00l2(6), c=l8. 49l(2) A, β=100. 87(l)° Z = 4, V = 1355. O(5) A, D'= 1. 350g/cm3, μ(MoKa) = 2. 41 cm-l, F(000) = 576, R=0. 029, Rw.= 0. 041 for 14l2 ob-served reflections (I> 3σ(I) ). X-ray analysis reveals that the dihedral angle betweenplane l (C(l)~C(6), F, N ) and plane 2 (C(8)~C(14), O ) is 4. l8° and theC(7) -S bond is longer than normal single C-S bond.展开更多
The title compound 2-[(4-methoxy-6-methylthio-2-pyrimidinyl)aminocarbonyl- aminosulfonyl]benzoic acid methyl ester (C15H16N4O6S2, Mr = 412.44) was obtained by the reaction of (4-methoxy-6-methylthio-2-pyrimidinyl)amin...The title compound 2-[(4-methoxy-6-methylthio-2-pyrimidinyl)aminocarbonyl- aminosulfonyl]benzoic acid methyl ester (C15H16N4O6S2, Mr = 412.44) was obtained by the reaction of (4-methoxy-6-methylthio-2-pyrimidinyl)amine with 2-methoxylcarbonylbenzene-sulfonylisocya- nate. The crystal is of monoclinic, space group P21/c with a =11.169(3), b = 9.508(3), c = 17.690(5) ? b = 91.593(5), Z = 4, V = 1877.9(10) 3, Dc = 1.459 g/cm3, F(000) = 856, m(MoKa) = 0.324 mm-1, R = 0.0690 and wR = 0.1368 for 3301 observed reflections (I > 2s(I)). The N(1)H…N(3) and N(2)H…O(4) hydrogen bonds can be observed. In the molecule the phenyl plane(I), pyrimi- din-2-yl-urea bridge plane(Ⅱ) and ester plane(Ⅲ) form three conjugated systems.展开更多
文摘The title compound 2-(4-fluorophenylamino)-2-thiomethyl acetophe-none (C15H14FNOS, M. = 275. 34 ) was synthesized by the reaction of 2-hydroxy-2-thiomethyl acetohenone (abenzoylhemithioacetal ) with 4-fluoroaniline. The crystal ismonoclinic, space group P21/n. with unit cell constants a = 12. 434 (4 ), b = 6. 00l2(6), c=l8. 49l(2) A, β=100. 87(l)° Z = 4, V = 1355. O(5) A, D'= 1. 350g/cm3, μ(MoKa) = 2. 41 cm-l, F(000) = 576, R=0. 029, Rw.= 0. 041 for 14l2 ob-served reflections (I> 3σ(I) ). X-ray analysis reveals that the dihedral angle betweenplane l (C(l)~C(6), F, N ) and plane 2 (C(8)~C(14), O ) is 4. l8° and theC(7) -S bond is longer than normal single C-S bond.
基金The project was supported by the National Natural Science Foundation of China (20372021) and Natural Science Foundation of Hunan Province (03JJY3018)
文摘The title compound 2-[(4-methoxy-6-methylthio-2-pyrimidinyl)aminocarbonyl- aminosulfonyl]benzoic acid methyl ester (C15H16N4O6S2, Mr = 412.44) was obtained by the reaction of (4-methoxy-6-methylthio-2-pyrimidinyl)amine with 2-methoxylcarbonylbenzene-sulfonylisocya- nate. The crystal is of monoclinic, space group P21/c with a =11.169(3), b = 9.508(3), c = 17.690(5) ? b = 91.593(5), Z = 4, V = 1877.9(10) 3, Dc = 1.459 g/cm3, F(000) = 856, m(MoKa) = 0.324 mm-1, R = 0.0690 and wR = 0.1368 for 3301 observed reflections (I > 2s(I)). The N(1)H…N(3) and N(2)H…O(4) hydrogen bonds can be observed. In the molecule the phenyl plane(I), pyrimi- din-2-yl-urea bridge plane(Ⅱ) and ester plane(Ⅲ) form three conjugated systems.
