The title compound of trans-3-phenyl-2-propenoic acid （C9H802）, a main active organic acid of cinnamon bark and styrax, was obtained by oxidization from trans-3-phenyl-2-propenaldehyde and characterized by X-ray dif...The title compound of trans-3-phenyl-2-propenoic acid （C9H802）, a main active organic acid of cinnamon bark and styrax, was obtained by oxidization from trans-3-phenyl-2-propenaldehyde and characterized by X-ray diffraction analysis. It crystallizes in monoclinic system, space group P21/n with a = 5.55916（10）, b = 17.4870（3）, c = 7.70677（13） A, V = 744.89（2） A3, Z= 4, Dc= 1.321 g/cm3, Mr = 148.15, F（000） = 312, and/t μ=0.764 mm-1. A total of 2661 reflections with 1447 unique ones （Rint = 0.0137） were collected, in which 1447 were observed （I〉2σ（/））. There were two C9H802 molecules in an asymmetric unit. The structural unit was a dimer formed by the hydrogen bonding of the oxygen atom of carbonyl group and the hydrogen atom of hydroxyl group. A 3D layer structure was formed through hydrogen bonds and Van der Walls＇ forces.展开更多
The title compound trans-4-[（5-（2,4-dichlorophenoxy）-3-methyl- 1-phenyl-1H-pyrazol-4-yl）methyleneamino]- 1,5-dimethyl-2-phenyl-1,2-dihydropyrazol-3-one 3 （C28H23Cl2N5O2, Mr = 532.41） has been synthesized and its...The title compound trans-4-[（5-（2,4-dichlorophenoxy）-3-methyl- 1-phenyl-1H-pyrazol-4-yl）methyleneamino]- 1,5-dimethyl-2-phenyl-1,2-dihydropyrazol-3-one 3 （C28H23Cl2N5O2, Mr = 532.41） has been synthesized and its crystal structure was determined by single-crystal X-ray diffraction analysis. It crystallizes in triclinic, space group P1- with a = 8.9438（4）, b = 11.6065（5）, c = 14.2215（6）A, α = 112.566（1）, β = 92.324（2）, γ = 102.91（1）°, V= 1315.65（10） A^3, Z = 2, Dc = 1.344 g/cm^3,μ（MoKa） = 0.282 mm^-1, λ = 0.71073 A, F（000） = 552, the final R = 0.0587 and wR = 0.1578 for 5071 observed reflections （I 〉 2σ（I））. X-ray analysis reveals that the product is a thermodynamically stable trans isomer. Intra- and intermolecular C（ 12）-H（12）…O（1） and C（28）-H（28）...O（1）# 1 hydrogen bonds were observed in the title compound.展开更多
基金The China Agriculture Research System(Grant No.CARS-21)the public welfare research special project in General Administration of Quality Supervision,Inspection and Quarantine of the People’s Republic of China(Grant No.201210209)
文摘The title compound of trans-3-phenyl-2-propenoic acid （C9H802）, a main active organic acid of cinnamon bark and styrax, was obtained by oxidization from trans-3-phenyl-2-propenaldehyde and characterized by X-ray diffraction analysis. It crystallizes in monoclinic system, space group P21/n with a = 5.55916（10）, b = 17.4870（3）, c = 7.70677（13） A, V = 744.89（2） A3, Z= 4, Dc= 1.321 g/cm3, Mr = 148.15, F（000） = 312, and/t μ=0.764 mm-1. A total of 2661 reflections with 1447 unique ones （Rint = 0.0137） were collected, in which 1447 were observed （I〉2σ（/））. There were two C9H802 molecules in an asymmetric unit. The structural unit was a dimer formed by the hydrogen bonding of the oxygen atom of carbonyl group and the hydrogen atom of hydroxyl group. A 3D layer structure was formed through hydrogen bonds and Van der Walls＇ forces.
基金the Science Research Foundation of Henan Institute of Science and Technology (No. 06036)
文摘The title compound trans-4-[（5-（2,4-dichlorophenoxy）-3-methyl- 1-phenyl-1H-pyrazol-4-yl）methyleneamino]- 1,5-dimethyl-2-phenyl-1,2-dihydropyrazol-3-one 3 （C28H23Cl2N5O2, Mr = 532.41） has been synthesized and its crystal structure was determined by single-crystal X-ray diffraction analysis. It crystallizes in triclinic, space group P1- with a = 8.9438（4）, b = 11.6065（5）, c = 14.2215（6）A, α = 112.566（1）, β = 92.324（2）, γ = 102.91（1）°, V= 1315.65（10） A^3, Z = 2, Dc = 1.344 g/cm^3,μ（MoKa） = 0.282 mm^-1, λ = 0.71073 A, F（000） = 552, the final R = 0.0587 and wR = 0.1578 for 5071 observed reflections （I 〉 2σ（I））. X-ray analysis reveals that the product is a thermodynamically stable trans isomer. Intra- and intermolecular C（ 12）-H（12）…O（1） and C（28）-H（28）...O（1）# 1 hydrogen bonds were observed in the title compound.
