Abstract
The molecular structure of the title compound, [WCl2(NO)2(C21H24N2)2]·C4D8O, displays a distorted octahedral arrangement around the W atom with two trans 1,3-bis(2,4,6-trimethylphenyl)imidazol-2-ylidene (IMes) carbene ligands in axial positions. The four equatorial positions are occupied by nitrosyl and chloride ligands, which are trans to each other. The Ccarbene—W—Ccarbene bond angle of 173.44 (18)° and the Cl—W—Nnitrosyl bond angles of 171.34 (11) and 171.32 (13)° deviate only slightly from linearity. The distortion comes from the nitrosyl and chloride ligands which are not fully coplanar since the two N atoms deviate from the WCl2 plane by −0.279 (4) and 0.272 (4) Å, respectively. An intermolecular C—H⋯O interaction connects the organometallic molecule and the tetrahydrofuran-d 8 solvent molecule.
Highlights
The molecular structure of the title compound, [WCl2(NO)2(C21H24N2)2]ÁC4D8O, displays a distorted octahedral arrangement around the W atom with two trans 1,3-bis(2,4,6trimethylphenyl)imidazol-2-ylidene (IMes) carbene ligands in axial positions
The distortion comes from the nitrosyl and chloride ligands which are not fully coplanar since the two N atoms deviate from the WCl2 plane by À0.279 (4) and 0.272 (4) A, respectively
Supplementary data and figures for this paper are available from the IUCr electronic archives (Reference: FJ2368)
Summary
Key indicators: single-crystal X-ray study; T = 183 K; mean (C–C) = 0.008 A; R factor = 0.026; wR factor = 0.076; data-to-parameter ratio = 14.0. The molecular structure of the title compound, [WCl2(NO)2(C21H24N2)2]ÁC4D8O, displays a distorted octahedral arrangement around the W atom with two trans 1,3-bis(2,4,6trimethylphenyl)imidazol-2-ylidene (IMes) carbene ligands in axial positions. The four equatorial positions are occupied by nitrosyl and chloride ligands, which are trans to each other. The Ccarbene—W—Ccarbene bond angle of 173.44 (18) and the Cl—W—Nnitrosyl bond angles of 171.34 (11) and 171.32 (13) deviate only slightly from linearity. The distortion comes from the nitrosyl and chloride ligands which are not fully coplanar since the two N atoms deviate from the WCl2 plane by À0.279 (4) and 0.272 (4) A , respectively. An intermolecular C—HÁ Á ÁO interaction connects the organometallic molecule and the tetrahydrofuran-d8 solvent molecule
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