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

doi:10.1107/S2056989017002328

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

School of Molecular Sciences

Research output: Contribution to journal › Article › peer-review

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 language	English
Pages (from-to)	410-412
Number of pages	3
Journal	Acta Crystallographica. Section E: Structure Reports Online
Volume	73
DOIs	https://doi.org/10.1107/S2056989017002328
Publication status	Published - 2017

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

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.",

keywords = "crystal structure, methyl-amine hydro-chloride, o-vanillin, Schiff base, self-condensation, twisted-boat conformation, [1,5]dioxocin ring",

author = "Kasyanova, {Katerina V.} and Kokozay, {Vladimir N.} and Buvaylo, {Elena A.} and Vassilyeva, {Olga Yu} and Skelton, {Brian W.}",

year = "2017",

doi = "10.1107/S2056989017002328",

language = "English",

volume = "73",

pages = "410--412",

journal = "Acta Crystallographica. Section E: Structure Reports Online",

issn = "2056-9890",

publisher = "International Union of Crystallography",

}

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

N2 - 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.

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

UR - http://www.scopus.com/inward/record.url?scp=85014667406&partnerID=8YFLogxK

U2 - 10.1107/S2056989017002328

DO - 10.1107/S2056989017002328

M3 - Article

C2 - 28316821

AN - SCOPUS:85014667406

SN - 2056-9890

VL - 73

SP - 410

EP - 412

JO - Acta Crystallographica. Section E: Structure Reports Online

JF - Acta Crystallographica. Section E: Structure Reports Online

ER -

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

Abstract

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