In the crystal structure of the title compound (BCP), C 26 H 20 N 2 , the phenyl rings are rotated out of the phenanthroline plane, with torsion angles of 119.66 ( 14) and 117.06 ( 14) . The asymmetric unit consists of one half BCP molecule, which is located on a crystallographic twofold rotation.
Dichlorido(2,9-dimethyl-4,7-diphenyl-1,10-phenanthroline)zinc(II) 0.35-hydrate
✍ Scribed by Qiu, Yu-E
- Publisher
- International Union of Crystallography
- Year
- 2007
- Tongue
- English
- Weight
- 725 KB
- Volume
- 63
- Category
- Article
- ISSN
- 1600-5368
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✦ Synopsis
The title compound, [ZnCl~2~(C~26~H~20~N~2~)]·0.35H~2~O, consists of one mononuclear dichlorido(2,9-dimethyl-4,7-diphenyl-1,10-phenanthroline)zinc(II) molecule and a partial-occupancy water molecule. The Zn^II^ atom is coordinated by two N atoms of one phenanthroline molecule and two chloride ions in a tetrahedral geometry. In the structure there exist O—H...Cl hydrogen bonds and π–π interactions [centroid–centroid = 4.035 (4) Å and vertical distance = 3.883 (4) Å], which lead to the formation of one-dimensional supramolecular chains. This compound is isostructural with the CuCl~2~, NiI~2~, NiBr~2~ and PtI~2~ adducts of the ligand 9-dimethyl-4,7-diphenyl-1,10-phenanthroline.
📜 SIMILAR VOLUMES
Single-crystal X-ray study T = 193 K Mean '(C±C) = 0.003 A Ê R factor = 0.043 wR factor = 0.112 Data-to-parameter ratio = 24.9 For details of how these key indicators were automatically derived from the article, see http://journals.iucr.org/e.
An N 2 S 2 -donor set de®nes the approximately tetrahedral coordination environment about the zinc centre in the monomeric title compound, [Zn(S 2 CO i Pr) 2 (4,7-Me 2 phen)] or [Zn(C 4 H 7 OS 2 ) 2 (C 14 H 12 N 2 )], which has crystallographically imposed twofold rotation symmetry.
The mononuclear structure of Zn(S 2 CN(CH 2 ) 4 ) 2 (4,7-Ph 2 -1,10-phenanthroline) shows the zinc atom in each of the two independent molecules comprising the asymmetric unit to exist in a distorted octahedral geometry defined by an N 2 S 4 donor set.