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Synthesis and crystal structure of 2-(2-hy-droxy-phen-yl)-1,3-bis-(4-meth-oxy-benz-yl)-1,3-diazinan-5-ol.

  • Academic Journal
  • Rivera A; Universidad Nacional de Colombia, Sede Bogotá, Facultad de Ciencias, Departamento de Química, Cra 30 No. 45-03, Bogotá, Código Postal 111321, Colombia.
    Ríos-Motta J; Universidad Nacional de Colombia, Sede Bogotá, Facultad de Ciencias, Departamento de Química, Cra 30 No. 45-03, Bogotá, Código Postal 111321, Colombia.
    Bolte M; Institut für Anorganische Chemie, J. W. Goethe-Universität Frankfurt, Max-von Laue-Str. 7, 60438 Frankfurt/Main, Germany.
  • Acta crystallographica. Section E, Crystallographic communications [Acta Crystallogr E Crystallogr Commun] 2022 Jun 28; Vol. 78 (Pt 7), pp. 742-745. Date of Electronic Publication: 2022 Jun 28 (Print Publication: 2022).
  • English
  • The redetermined structure of 2-(2-hy-droxy-phen-yl)-1,3-bis-(4-meth-oxy-benz-yl)-1,3-diazinan-5-ol, C 26 H 30 N 2 O 4 , at 173 K has ortho-rhom-bic ( Pbca ) symmetry. It was previously described by Bolte et al. [ Private Communication (refcode EWICEV). CCDC, Cambridge, England]. The title compound resulted from the condensation reaction between 1,3-bis-{[(4-meth-oxy-phen-yl)meth-yl]amino}-propan-2-ol and 2-hy-droxy-benzaldehyde in CH 3 OH. The structure exhibits disorder. One of the 4-meth-oxy-benzyl groups, the hy-droxy group bonded to the 1,3-diazinan ring, and the methyl group of the meth-oxy residue are disordered over two orientations, with occupancies of 0.807 (3)/0.193 (3), 0.642 (5)/0.358 (5), and 0.82 (4)/0.18 (4), respectively. The dihedral angles between the mean planes of the central 1,3-diazinan-5-ol and the 4-meth-oxy-phenyl rings (both occupancy components of the disordered ring) are 88.65 (13), 85.79 (14) and 83.4 (7)°. The crystal packing is sustained by C-H⋯O and O-H⋯π inter-actions, giving rise to infinite chains running along the b- axis direction.
    (© Rivera et al. 2022.)
Additional Information
Publisher: John Wiley & Sons Ltd Country of Publication: England NLM ID: 101648987 Publication Model: eCollection Cited Medium: Print ISSN: 2056-9890 (Print) NLM ISO Abbreviation: Acta Crystallogr E Crystallogr Commun Subsets: PubMed not MEDLINE
Original Publication: West Sussex : John Wiley & Sons Ltd. [2015]-
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Keywords: C—H⋯O inter­actions; Mannich-type bases; O—H⋯π inter­actions; crystal structure; hexa­hydro­pyrimidine; intra­molecular hydrogen bond
Date Created: 20220720 Latest Revision: 20220721
20220908
PMC9260363
10.1107/S2056989022006508
35855366

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