首页> 美国卫生研究院文献>Acta Crystallographica Section E: Crystallographic Communications >Tetra­methyl anthracene-2,3,6,7-tetra­carboxyl­ate–tetra­methyl 9,10-dihydro-9,10-dioxoanthracene-2,3,6,7-tetra­carboxyl­ate (1/1)
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Tetra­methyl anthracene-2,3,6,7-tetra­carboxyl­ate–tetra­methyl 9,10-dihydro-9,10-dioxoanthracene-2,3,6,7-tetra­carboxyl­ate (1/1)

机译:四甲基蒽-2,3,6,7-四羧酸­酯-四甲基9,10-二氢-9,10-二氧杂蒽-2,3,6,7-四羧酸­酯(1/1)

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摘要

In the title co-crystal, C22H16O10·C22H18O8, the independent tetra­methyl 9,10-dihydro-9,10-dioxoanthracene-2,3,6,7-tetra­carboxyl­ate, (I), and tetra­methyl anthracene-2,3,6,7-tetra­carboxyl­ate, (II), components occupy separate crystallographic inversion centers. In (II), the dihedral angles between the mean aromatic plane and the two independent carboxyl­ate planes are 41.32 (10) and −38.35 (10)°. The methyl­carboxyl­ate groups of (I) are disordered, with each resolvable into two groups. In the least disordered carboxyl­ate, the apparent angles between the mean aromatic plane and the two partial carboxyl­ate planes [site occupations = 0.510 (3) and 0.490 (3)] are 16.8 (3) and 23.3 (3)°. In the highly disordered group, the apparent angles between the mean aromatic plane and the two partial carboxyl­ate planes [site occupations = 0.510 (3) and 0.490 (3)] are 78.3 (3) and −74.1 (3)°. In addition, this extreme disorder leads to an artificially elongated C(aromatic)—C(carbox­yl) bond.
机译:在标题共晶体C22H16O10·C22H18O8中,独立的四甲基9,10-二氢-9,10-二氧杂蒽-2,3,6,7-四羧酸盐(I)和四甲基蒽-2,3,6, 7-四羧酸盐(II)组分占据单独的晶体学反演中心。在(II)中,平均芳族平面和两个独立的羧酸盐平面之间的二面角为41.32°(10)和-38.35°(10)°。 (I)的羧酸甲酯基是无序的,每个可分解成两个基团。在最无序的羧酸盐中,平均芳族平面和两个部分羧酸盐平面之间的表观角度[位点占有率分别为0.510(3)和0.490(3)]为16.8(3)和23.3(3)°。在高度无序的组中,平均芳族平面和两个部分羧酸盐平面之间的表观角[位点占据= 0.510(3)和0.490(3)]为78.3(3)和-74.1(3)°。另外,这种极端疾病导致人为地延长了C(芳族)-C(羧基)键。

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