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Crystal structure of bis-(μ-4-nitro-benzoato-κ²O:O')bis-[bis-(4-methyl-pyridine-κN)(4-nitro-benzoato-κ²O,O')manganese(II)].

ABSTRACT: The title compound, [Mn₂(C₇H₄NO₄)₄(C₆H₇N)₄] or [Mn₂(μ-NBz)₂(κ²-NBz)₂(4-Mepy)₄], where NBz is 4-nitro-benzoate and 4-Mepy is 4-methyl-pyridine, is a centrosymmetric dinuclear complex in which the Mn^II atoms are bridged by two NBz ligands with Mn⋯Mn = 4.1324 (4) Å. The Mn^II atom in this dimeric species is present in a distorted octa-hedral environment with the four coordinating O atoms forming the equatorial plane and the two pyridyl N atoms occupying the axial sites. An important structural feature of the dimeric complex is that each of the bridging carboxyl-ate ligands binds to the metal ions in an asymmetric fashion involving bent and linear Mn-O-C units. The crystal packing is consolidated by C-H⋯O and C-H⋯π interactions.

SUBMITTER: Bharali SJ

PROVIDER: S-EPMC5095830 | biostudies-literature | 2016 Nov

REPOSITORIES: biostudies-literature

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Crystal structure of bis-(μ-4-nitro-benzoato-κ2O:O')bis-[bis-(4-methyl-pyridine-κN)(4-nitro-benzoato-κ2O,O')manganese(II)].

Bharali Sourav J SJ Bora Sanchay J SJ Das Birinchi K BK

Acta crystallographica. Section E, Crystallographic communications 20161011 Pt 11

The title compound, [Mn2(C7H4NO4)4(C6H7N)4] or [Mn2(μ-NBz)2(κ2-NBz)2(4-Mepy)4], where NBz is 4-nitro-benzoate and 4-Mepy is 4-methyl-pyridine, is a centrosymmetric dinuclear complex in which the MnII atoms are bridged by two NBz ligands with Mn⋯Mn = 4.1324 (4) Å. The MnII atom in this dimeric species is present in a distorted octa-he ...[more]

PMID: 27840705

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Project description:The asymmetric unit of the title compound, [{Sn(C4H9)2(C6H5COO)}2O]2, consists of two half molecules, completed by application of inversion symmetry. Both mol-ecules adopt a ladder structure typical for this class of dimeric tetra-organodistannoxane di-carboxyl-ates characterized by a centrosymmetric four-membered (Sn-O)2 ring of rhomboidal shape that is extended on both sides by folded six-membered Sn-O-C rings. To a first approximation, both kinds of Sn atoms (Sn i and Sn o ) are trigonal-bipyramidally coordinated. The bond angles between the n-butyl groups are widened [135.64 (7)-146.20 (7)°] in comparison with an ideal trigonal bipyramid. Sn-O bond lengths within the {R2SnO3} coordination sphere depend strongly on the position of the corresponding O atom - axial (ax) or equatorial (eq) - as well as on the functionality of the carboxyl-ate groups which exhibit μ2 (-COO i ) and μ1 (-COO o ) coordination modes, respectively. In summary, the following sequence of distances [mean values] is found: d(Sn o -Oμ3) eq [2.024 (2) Å] < d(Sn i -Oμ3) eq [2.044 (2) Å] < d(Sn i -Oμ3) ax [2.158 (6) Å] < d(Sn o -Oμ1-carb) ax [2.182 (6) Å] < d(Sn i -Oμ2-carb) ax [2.250 (2) Å] ≃ d(Sn o -Oμ2-carb) ax [2.247 (12) Å]. The n-butyl groups adopt an anti-anti conformation with exception of two disordered outer n-butyl groups of the second mol-ecule which exhibit gauche-anti and anti-gauche conformations. Weak intra-molecular Sn⋯O inter-actions between the different O atoms of the outer carboxyl groups with the inner, as well as outer, Sn atoms give rise to a strongly distorted octa-hedral coordination at these Sn atoms. Inter-molecular inter-actions between the individual mol-ecules are restricted to van der Waals and O⋯H-C inter-actions of which a nearly linear very short C-H⋯O contact between the H atom of the phenyl group of one of the mol-ecules with the outer non-coordinating C=O group of the other molecule is the most prominent. It gives rise to a chain-like arrangement of the mol-ecules along [111]. The two n-butyl groups attached to the outer Sn atom of one mol-ecule are disordered over two sets of sites with occupancies of 0.806 (3)/0.194 (3) and 0.702 (3)/0.298 (3).

Dataset Information

Crystal structure of bis-(μ-4-nitro-benzoato-κ²O:O')bis-[bis-(4-methyl-pyridine-κN)(4-nitro-benzoato-κ²O,O')manganese(II)].

Publications

Crystal structure of bis-(μ-4-nitro-benzoato-κ<sup>2</sup><i>O</i>:<i>O</i>')bis-[bis-(4-methyl-pyridine-κ<i>N</i>)(4-nitro-benzoato-κ<sup>2</sup><i>O</i>,<i>O</i>')manganese(II)].

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