Crystal structure of (methanol-#954;O)5,10,15,20-tetra#173;kis#173;(2-amino#173;phen#173;yl)porphyrinato-#954;4Nzinc(II)#8211;chloro#173;form#8211;methanol (1/1/1)

Leben L.; Nther C.; Herges R.

首页> 外文期刊>Acta Crystallographica Section E: Crystallographic Communications >Crystal structure of (methanol-#954;O)5,10,15,20-tetra#173;kis#173;(2-amino#173;phen#173;yl)porphyrinato-#954;4Nzinc(II)#8211;chloro#173;form#8211;methanol (1/1/1)

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Crystal structure of (methanol-#954;O)5,10,15,20-tetra#173;kis#173;(2-amino#173;phen#173;yl)porphyrinato-#954;4Nzinc(II)#8211;chloro#173;form#8211;methanol (1/1/1)

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In the crystal structure of the title compound, Zn(C44H32N8)(CH3OH)#183;CHCl3#183;CH3OH, the ZnII cation is coordinated by four porphyrin N and one methanol O atom within a slightly distorted square-pyramidal environment and is shifted out of the porphyrin plane towards the direction of the methanol mol#173;ecule. The methyl group of the coordinating methanol mol#173;ecule is disordered over two sets of sites. The porphyrin backbone is nearly planar and the phenyl rings are almost perpendicular to the porphyrin plane. As is typical for picket-fence porphyrins, all four ortho substituents of the meso-phenyl groups (here the amino groups) are facing to the same side of the porphyrin mol#173;ecule. In the crystal structure, two neighbouring porphyrin complexes form centrosymmetric dimers that are connected via O#8212;H#8943;N hydrogen bonding. With the aid of additional N#8212;H#8943;N and C#8212;H#8943;N hydrogen bonding, these dimers are stacked into columns parallel to 010 that are finally arranged into layers parallel to (001). Between these layers channels are formed where chloro#173;form solvent mol#173;ecules are located that are connected to the porphyrin complexes by weak C#8212;H#8943;Cl hydrogen bonding. There are additional cavities in the structure where some small residual electron density is found, indicating the presence of disordered methanol mol#173;ecules, but a reasonable model could not be refined. Therefore the contribution of the electron density associated with the methanol solvent mol#173;ecule was removed with the SQUEEZE procedure Spek (2015). Acta Cryst. C71, 9#8211;18 in PLATON. Nevertheless, the given chemical formula and other crystal data take into account the methanol solvent mol#173;ecule.

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《Acta Crystallographica Section E: Crystallographic Communications》 |2018年第9期|1285-1289|共5页
作者
Leben L.; Nther C.; Herges R.;
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作者单位

Institut fr Organische Chemie, Universitt Kiel, Otto-Hahn-Platz 4, 24118, Kiel, Germany;

Institut fr Anorganische Chemie, Universitt Kiel, Otto-Hahn-Platz 6/7, 24118, Kiel, Germany;

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CRYSTAL STRUCTURE; PICKET FENCE PORPHYRIN; ATROPISOMERS; ZINC(II) PORPHYRIN;

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Crystal structure of (methanol-#954;O)5,10,15,20-tetra#173;kis#173;(2-amino#173;phen#173;yl)porphyrinato-#954;4Nzinc(II)#8211;chloro#173;form#8211;methanol (1/1/1)

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