TY - JOUR
T1 - Crystal structure of racemic (R/S, E)-2-(4-hydroxyphenyl)-4-(2-phenylhydrazin-1-ylidene)chromane-5,7-diol ethanol monosolvate
AU - Yennawar, Hemant P.
AU - Sigmon, Anna
N1 - Publisher Copyright:
© 2022.
PY - 2022/4/1
Y1 - 2022/4/1
N2 - The crystal structure of racemic (R/S,E)-2-(4-hydroxyphenyl)-4-(2-phenylhydrazin-1-ylidene)chromane-5,7-diol ethanol monosolvate, C21H18N2O4·C2H6O, in a centrosymmetric lattice is reported. The two racemates occupy the same position in the asymmetric unit-a disordered mixed enantiomeric structure. Hydrogen bonds of the type O-H..C(π) in addition to typical C-H..O, O-H..O and O-H..N are identified. A positional disorder is seen in the solvent molecule (ethanol) as well. The phenylhydrazone group is nearly coplanar with the chromane ring system [dihedral angle = 15.5(1)°], while the the 4-hydroxyphenyl ring is perpendicular [dihedral angle = 87.2(1)°] to the chromane. The pyran ring has an envelope pucker [Q = 0.363(3)Å, θ = 57.6(3)°; and for the enantiomer: Q = 0.364(3)Å, θ = 127.4(4)°].
AB - The crystal structure of racemic (R/S,E)-2-(4-hydroxyphenyl)-4-(2-phenylhydrazin-1-ylidene)chromane-5,7-diol ethanol monosolvate, C21H18N2O4·C2H6O, in a centrosymmetric lattice is reported. The two racemates occupy the same position in the asymmetric unit-a disordered mixed enantiomeric structure. Hydrogen bonds of the type O-H..C(π) in addition to typical C-H..O, O-H..O and O-H..N are identified. A positional disorder is seen in the solvent molecule (ethanol) as well. The phenylhydrazone group is nearly coplanar with the chromane ring system [dihedral angle = 15.5(1)°], while the the 4-hydroxyphenyl ring is perpendicular [dihedral angle = 87.2(1)°] to the chromane. The pyran ring has an envelope pucker [Q = 0.363(3)Å, θ = 57.6(3)°; and for the enantiomer: Q = 0.364(3)Å, θ = 127.4(4)°].
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U2 - 10.1107/S2056989022002079
DO - 10.1107/S2056989022002079
M3 - Article
C2 - 35492281
AN - SCOPUS:85128413356
SN - 2056-9890
VL - 78
SP - 346
EP - 348
JO - Acta Crystallographica Section E: Crystallographic Communications
JF - Acta Crystallographica Section E: Crystallographic Communications
ER -