Dimethyl 4,4′-(pyridine-2,6-diyl)dibenzoate

Yue Cui,Qian Gao,Huan-Huan Wang,Lin Wang,Ya-Bo Xie

doi:10.1107/s160053681004362x

Yue Cui, Qian Gao + Show 3 more

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https://doi.org/10.1107/s160053681004362x

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Abstract

The title molecule, C21H17NO4, reveals axial symmetry, with the pyridine N atom located on a crystallographic twofold axis. The molecule is dish-shaped, with dihedral angles between the benzene and pyridine rings of 24.643 (1) and 24.797 (1)°, respectively. The –COO plane and the benzene ring are almost coplanar [dihedral angle = 5.286 (1)°].

Highlights

The title molecule, C21H17NO4, reveals axial symmetry, with the pyridine N atom located on a crystallographic twofold axis
Supplementary data and figures for this paper are available from the IUCr electronic archives (Reference: KP2283)
R-factors based on F2 are statistically about twice as large as those based on F, and R-factors based on ALL data will be even larger

Summary

Bruker APEXII CCD diffractometer

Absorption correction: multi-scan (SADABS; Bruker, 1998) Tmin = 0.945, Tmax = 0.966. Refinement R[F 2 > 2(F 2)] = 0.037 wR(F 2) = 0.109 S = 1.05 2264 reflections 122 parameters. V = 1681.1 (9) A 3 Z=4 Mo K radiation = 0.10 mmÀ1 T = 296 K 0.60 Â 0.40 Â 0.36 mm 7265 measured reflections 2264 independent reflections 2151 reflections with I > 2(I) Rint = 0.035. 1 restraint H-atom parameters constrained Ámax = 0.25 e A À3 Ámin = À0.16 e A À3. The title molecule, C21H17NO4, reveals axial symmetry, with the pyridine N atom located on a crystallographic twofold axis. The molecule is dish-shaped, with dihedral angles between the benzene and pyridine rings of 24.643 (1) and 24.797 (1), respectively. The –COO plane and the benzene ring are almost coplanar [dihedral angle = 5.286 (1)]

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