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

Acta Crystallographica Section B
Acta Crystallographica
Section B STRUCTURAL SCIENCE, CRYSTAL ENGINEERING AND MATERIALS

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Figure 1
(a) Two independent formula units of 4-biphenylcarboxy-(L)-phenylalaninate (C₂₃H₂₁NO₃) with atomic labels of non-hydrogen atoms (a and b for molecule A and B, respectively) in phase I at T = 160 K. $[{\varphi}_{A}^{1}]$ = −130.1°, $[{\varphi}_{B}^{1}]$ = 56.1°; $[|{\varphi}_{A}^{2}|]$ = 32.8°, $[|{\varphi}_{B}^{2}|]$ = 30.8°; $[{\varphi}_{A}^{3}]$ = $[{\varphi}_{B}^{3}]$ = 0°; ψ_A = 36.4°, ψ_B = 36.2°. Viewing direction along $[[\overline{1}00]]$ . (b) Crystal packing in phase I viewed along [111] emphasizing biphenyl stacks (AA)_n and (BB)_n along a (horizontal arrows), (ABAB)_n along b (zigzag vertical arrows) and intermolecular N—H⋯O bonds between amide groups (dashed orange) along [∓100] directions. Phenyl rings of the ester groups (transparent) are stacked only along a.

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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