Asymmetric rotations and dimerization driven by normal to modulated phase transition in 4-biphenylcarboxy coupled l-phenylalaninate

Dey, S.; Sasmal, S.; Mondal, S.; Kumar, S.; Chowdhury, R.; Sarkar, D.; Malla Reddy, C.; Peters, L.; Roth, G.; Haldar, D.

doi:10.1107/S2052520623000215

Figure 3
t-plots of intramolecular rotations of molecule A (blue) and B (red) as well as intermolecular tilts and distances between stacks of 4-biphenylcarboxy-(L)-phenylalaninate. (a) Dihedral angle |φ³| represents internal torsion within the biphenyl rings, (b) dihedral angle |φ²| represents the torsion angle between the inner ring of the biphenyl and the amide groups, (c) φ¹ represents the torsion angle of the amide groups with respect to the –COOCH₃ groups and (d) ψ represents the torsion angle of –COOCH₃ groups with respect to amide groups. (e) | θ_AA/BB| represents tilt between biphenyl rings of A and Aⁱⁱ (blue), and of B and Bⁱⁱ (red) and |θ_AB/BA| (dashed-dotted black curve) represent tilt between inner aromatic rings of biphenyl (bonded to amide groups) of A and outer ring of B and vice versa. (f) Intermolecular distances (d) between biphenyl rings of A and Aⁱⁱ (blue), between those of B and Bⁱⁱ (red) and between those of A and B (black). Horizontal dashed lines represent those angles and distances in phase I (|φ³| = | θ_AA/BB| = 0°). Vertical dashed lines indicate t values corresponding to angles and distances in the 3D superstructure. Symmetry code (ii): x + 1, y, z, t.

STRUCTURAL SCIENCE
CRYSTAL ENGINEERING
MATERIALS

ISSN: 2052-5206

Volume 79| Part 2| April 2023| Pages 148-156

https://doi.org/10.1107/S2052520623000215

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