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Crystal structure of 2-[2-(benz-yloxy)benzyl-idene]malono-nitrile.

ABSTRACT: In the title benzyl-idenemalono-nitrile derivative, C17H12N2O, the dihedral angles between the central benzene ring and the Y-shaped C=C(CN)2 group (r.m.s. deviation = 0.006?Å) and the terminal benzene ring are 12.72?(8) and 37.60?(11)°, respectively. The Car-O-Csp (3)-Car torsion angle is -174.52?(13)° and the major twist between the aromatic rings occurs about the Csp (3)-Car bond. Weak aromatic ?-? stacking [centroid-centroid separation = 3.7784?(13)?Å; slippage = 1.21?Å] between inversion-related pairs of the central benzene rings is observed in the crystal.

SUBMITTER: Yousuf S

PROVIDER: S-EPMC4571396 | biostudies-literature | 2015 Aug

REPOSITORIES: biostudies-literature

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Crystal structure of 2-[2-(benz-yloxy)benzyl-idene]malono-nitrile.

Yousuf Sammer S Bano Huma H Muhammad Munira Taj MT Khan Khalid Mohammed KM

Acta crystallographica. Section E, Crystallographic communications 20150708 Pt 8

In the title benzyl-idenemalono-nitrile derivative, C17H12N2O, the dihedral angles between the central benzene ring and the Y-shaped C=C(CN)2 group (r.m.s. deviation = 0.006 Å) and the terminal benzene ring are 12.72 (8) and 37.60 (11)°, respectively. The Car-O-Csp (3)-Car torsion angle is -174.52 (13)° and the major twist between the aromatic rings occurs about the Csp (3)-Car bond. Weak aromatic π-π stacking [centroid-centroid separation = 3.7784 (13) Å; slippage = 1.21 Å] between inversion-re ...[more]

PMID: 26396796

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