Crystal structure of di­bromido­bis­(1,3-dibenzyl-1,3-diazinan-2-one-κO)cobalt(II)

Acta Crystallographica Section E: Crystallographic Communications

Rais, E.¹  rke, U.¹  Flö²  Wilhelm, R.² 

[1]Department Chemie, Universitä

[2]t Paderborn, Warburgerstrasse 100, 33098 Paderborn, Germany

关键词: CRYSTAL STRUCTURE;    COORDINATION COMPOUND;    COBALT PYRIMIDINONE COMPLEX;    C-H...BR INTERACTIONS;   

DOI  :  10.1107/S2056989015014577

学科分类：数学（综合）

来源: International Union of Crystallography

【 摘 要 】

The unit cell of the title complex, [CoBr2(C18H20N2O)2], contains 1.5 formula units per asymmetric unit with one mol­ecule sitting on a general site and a second one halved by a crystallographic twofold rotation axis passing through the CoII cation. Both CoII atoms are coordinated in a distorted tetra­hedral manner by two Br− ligands and two O atoms of the pyrimidinone (OPyr) groups. The Br—Co—Br coordination angles are similar [115.46 (4) and 115.20 (5)°], while the O—Co—O angles differ slightly more [102.26 (18) and 98.1 (2)°]. Similarly, the Co—Br bond lengths are almost identical [2.3721 (9), 2.3757 (10) and 2.3809 (10) Å], with a larger difference between the Co—O bond lengths [1.929 (4), 1.926 (4) and 1.955 (4) Å]. The three independent OPyr groups present envelope conformations, with three C and two N atoms lying in well defined planes with maximum deviations from the least-squares planes of 0.047, 0.031 and 0.036 Å, and the external-most C atoms protruding by 0.654 (6), 0.643 (7) and 0.656 (6) Å out of the planes. The dihedral angles between the planar fractions of the OPyr planes are 50.5 (1)° for the nonsymmetric mol­ecule and 49.7 (1)° for the symmetric one. Non-covalent inter­actions are of the C—H⋯Br type and they are weak, hardly shorter than van der Waals radii, with an H⋯Br distance range of 3.00–3.04 Å. The inter­molecular inter­actions define chains parallel to [101].

【 授权许可】

CC BY