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5-(3,4-Dimeth-oxy-benzyl-idene)-1,3-dimethyl-1,3-diazinane-2,4,6-trione.


ABSTRACT: In the title compound, C(15)H(16)N(2)O(5), the dihedral angle between 1,3-diazinane and benzene rings is only 4.27?(1)°. The essentially planar mol-ecular structure is characterized by a short intra-molecular C-H?O separation and by an exceptionally large bond angle of 138.25?(14)° at the bridging methine C atom. The meth-oxy groups deviate somewhat from the plane of the benzene ring, with C-C-O-C torsion angles of -15.6?(1) and 9.17?(6)°. In the crystal, mol-ecules form centrosymmetric dimers via donor-acceptor ?-? inter-actions, with a centroid-centroid distance of 3.401?(1)?Å.

SUBMITTER: Gohain M 

PROVIDER: S-EPMC3254518 | biostudies-literature | 2012 Jan

REPOSITORIES: biostudies-literature

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5-(3,4-Dimeth-oxy-benzyl-idene)-1,3-dimethyl-1,3-diazinane-2,4,6-trione.

Gohain Mukut M   Muller Theunis J TJ   Bezuidenhoudt Barend C B BC  

Acta crystallographica. Section E, Structure reports online 20111221 Pt 1


In the title compound, C(15)H(16)N(2)O(5), the dihedral angle between 1,3-diazinane and benzene rings is only 4.27 (1)°. The essentially planar mol-ecular structure is characterized by a short intra-molecular C-H⋯O separation and by an exceptionally large bond angle of 138.25 (14)° at the bridging methine C atom. The meth-oxy groups deviate somewhat from the plane of the benzene ring, with C-C-O-C torsion angles of -15.6 (1) and 9.17 (6)°. In the crystal, mol-ecules form centrosymmetric dimers v  ...[more]

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