Crystal structure of 4,10-dimeth-oxy-13-methyl-6H,12H-6,12-epimino-dibenzo[b,f][1,5]dioxocine

Katerina V. Kasyanova, Vladimir N. Kokozay, Elena A. Buvaylo, Olga Yu Vassilyeva, Brian W. Skelton

Research output: Contribution to journalArticle

Abstract

The title compound, C17H17NO4, lacks crystallographic symmetry with one mol-ecule per asymmetric unit. The mol-ecule exists in a folded butterfly-like conformation; the benzene rings form a dihedral angle of 84.72 (7)°. The central eight-membered imino-bridged dioxocin ring adopts a twisted-boat conformation. In the crystal, inversion-related mol-ecules are linked by pairs of weak C - H...O hydrogen bonds, forming double-stranded chains parallel to the a axis.

Original languageEnglish
Pages (from-to)410-412
Number of pages3
JournalActa Crystallographica. Section E: Structure Reports Online
Volume73
DOIs
Publication statusPublished - 2017

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Conformations
Crystal structure
crystal structure
rings
boats
Boats
Dihedral angle
Benzene
dihedral angle
Hydrogen bonds
benzene
inversions
hydrogen bonds
Crystals
symmetry
crystals

Cite this

Kasyanova, Katerina V. ; Kokozay, Vladimir N. ; Buvaylo, Elena A. ; Vassilyeva, Olga Yu ; Skelton, Brian W. / Crystal structure of 4,10-dimeth-oxy-13-methyl-6H,12H-6,12-epimino-dibenzo[b,f][1,5]dioxocine. In: Acta Crystallographica. Section E: Structure Reports Online. 2017 ; Vol. 73. pp. 410-412.
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abstract = "The title compound, C17H17NO4, lacks crystallographic symmetry with one mol-ecule per asymmetric unit. The mol-ecule exists in a folded butterfly-like conformation; the benzene rings form a dihedral angle of 84.72 (7)°. The central eight-membered imino-bridged dioxocin ring adopts a twisted-boat conformation. In the crystal, inversion-related mol-ecules are linked by pairs of weak C - H...O hydrogen bonds, forming double-stranded chains parallel to the a axis.",
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Crystal structure of 4,10-dimeth-oxy-13-methyl-6H,12H-6,12-epimino-dibenzo[b,f][1,5]dioxocine. / Kasyanova, Katerina V.; Kokozay, Vladimir N.; Buvaylo, Elena A.; Vassilyeva, Olga Yu; Skelton, Brian W.

In: Acta Crystallographica. Section E: Structure Reports Online, Vol. 73, 2017, p. 410-412.

Research output: Contribution to journalArticle

TY - JOUR

T1 - Crystal structure of 4,10-dimeth-oxy-13-methyl-6H,12H-6,12-epimino-dibenzo[b,f][1,5]dioxocine

AU - Kasyanova, Katerina V.

AU - Kokozay, Vladimir N.

AU - Buvaylo, Elena A.

AU - Vassilyeva, Olga Yu

AU - Skelton, Brian W.

PY - 2017

Y1 - 2017

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AB - The title compound, C17H17NO4, lacks crystallographic symmetry with one mol-ecule per asymmetric unit. The mol-ecule exists in a folded butterfly-like conformation; the benzene rings form a dihedral angle of 84.72 (7)°. The central eight-membered imino-bridged dioxocin ring adopts a twisted-boat conformation. In the crystal, inversion-related mol-ecules are linked by pairs of weak C - H...O hydrogen bonds, forming double-stranded chains parallel to the a axis.

KW - crystal structure

KW - methyl-amine hydro-chloride

KW - o-vanillin

KW - Schiff base

KW - self-condensation

KW - twisted-boat conformation

KW - [1,5]dioxocin ring

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DO - 10.1107/S2056989017002328

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VL - 73

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EP - 412

JO - Acta Crystallographica. Section E: Structure Reports Online

JF - Acta Crystallographica. Section E: Structure Reports Online

SN - 1600-5368

ER -