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Synthesis and Crystal Structure of (E)-Ethyl (9-bromo-5-oxo-4-phenyl-1,10b-dihydro-5H-pyrano3,4-cchromen-2-ylidene) Acetate

Synthesis and Crystal Structure of (E)-Ethyl (9-bromo-5-oxo-4-phenyl-1,10b-dihydro-5H-pyrano3,4-cchromen-2-ylidene) Acetate
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摘要 The crystal structure of the title compound (C22H17BrOs, Mr = 441.27) has been determined by single-crystal X-ray diffraction. The crystal is of orthorhombic system, space group Pna21 with a = 11.76(I), b = 14.58(1), c = 11.52(1)A, V= 1973.9A3, Z= 4, Dc = 1.485 g/cm3, F(000) = 896,μ(MoKa) = 2.113 mm-1, the final R = 0.0394 and wR = 0.0809 for 3918 observed reflections (1 〉 2o(/)). The single-crystal X-ray diffraction data indicate that the C=C bond is in an E-configuration. The intramolecular C(10)-H(10B)...O(4) and intermolecular C(17)-H(I 7)...0(4) hydrogen bonds contribute to the stability of the structure. The crystal structure of the title compound (C22H17BrOs, Mr = 441.27) has been determined by single-crystal X-ray diffraction. The crystal is of orthorhombic system, space group Pna21 with a = 11.76(I), b = 14.58(1), c = 11.52(1)A, V= 1973.9A3, Z= 4, Dc = 1.485 g/cm3, F(000) = 896,μ(MoKa) = 2.113 mm-1, the final R = 0.0394 and wR = 0.0809 for 3918 observed reflections (1 〉 2o(/)). The single-crystal X-ray diffraction data indicate that the C=C bond is in an E-configuration. The intramolecular C(10)-H(10B)...O(4) and intermolecular C(17)-H(I 7)...0(4) hydrogen bonds contribute to the stability of the structure.
作者 王颖 石德清
出处 《Chinese Journal of Structural Chemistry》 SCIE CAS CSCD 2013年第4期521-524,共4页 结构化学(英文)
基金 Supported by NNSFC(No.20872046) the Fundamental Research Funds for the Central Universities(No.CCNU09A02013)
关键词 crystal structure synthesis [4+2] cyeloaddition dihydropyran-fused chromen-2-one crystal structure, synthesis,[4+2] cyeloaddition, dihydropyran-fused chromen-2-one
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