3-{( E )-[4-(4-Hy-droxy-3-meth-oxy-phen-yl)butan-2-yl-idene]amino}-1-phenyl-urea: crystal structure and Hirshfeld surface analysis
Two independent mol-ecules ( and ) comprise the asymmetric unit of the title compound, C H N O . The urea moiety is disubstituted with one amine being linked to a phenyl ring, which is twisted out of the plane of the CN O urea core [dihedral angles = 25.57 (11) ( ) and 29.13 (10)° ( )]. The second a...
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Veröffentlicht in: | Acta crystallographica. Section E, Crystallographic communications Crystallographic communications, 2018-01, Vol.74 (Pt 1), p.21-27 |
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Hauptverfasser: | , , , , |
Format: | Artikel |
Sprache: | eng |
Schlagworte: | |
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Zusammenfassung: | Two independent mol-ecules (
and
) comprise the asymmetric unit of the title compound, C
H
N
O
. The urea moiety is disubstituted with one amine being linked to a phenyl ring, which is twisted out of the plane of the CN
O urea core [dihedral angles = 25.57 (11) (
) and 29.13 (10)° (
)]. The second amine is connected to an imine (
conformation), which is linked in turn to an ethane bridge that links a disubstituted benzene ring. Intra-molecular amine-N-H⋯N(imine) and hydroxyl-O-H⋯O(meth-oxy) hydrogen bonds close
(5) loops in each case. The mol-ecules have twisted conformations with the dihedral angles between the outer rings being 38.64 (81) (
) and 48.55 (7)° (
). In the crystal, amide-N-H⋯O(amide) hydrogen bonds link the mol-ecules
and
an eight-membered {⋯HNCO}
synthon. Further associations between mol-ecules, leading to supra-molecular layers in the
plane, are hydrogen bonds of the type hydroxyl-O-H⋯N(imine) and phenyl-amine-N-H⋯O(meth-oxy). Connections between layers, leading to a three-dimensional architecture, comprise benzene-C-H⋯O(hy-droxy) inter-actions. A detailed analysis of the calculated Hirshfeld surfaces shows mol-ecules
and
participate in very similar inter-molecular inter-actions and that any variations relate to conformational differences between the mol-ecules. |
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ISSN: | 2056-9890 2056-9890 |
DOI: | 10.1107/S2056989017017273 |