Methyl 4-amino-3-methoxyisoxazole-5-carboxylate

Mohd Abdul Fatah Abdul Manan; David B Cordes; Alexandra M Z Slawin

doi:10.1107/s2414314623006235

Methyl 4-amino-3-methoxyisoxazole-5-carboxylate

Mohd Abdul Fatah Abdul Manan, David B Cordes, Alexandra M Z Slawin

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

Abstract

The title compound, C6H8N2O4, a new derivative of isoxazole, has been synthesized and structurally characterized. The crystal structure shows the mol-ecule to be almost planar (r.m.s. deviation for the non-hydrogen atoms = 0.029 Å), this conformation being supported by an intra-molecular N-H⋯O hydrogen bond. In the extended structure, the mol-ecules are linked by N-H⋯O hydrogen bonds into chains propagating along [010].

Original language	English
Journal	IUCrData
Volume	8
Issue number	Pt 8
DOIs	https://doi.org/10.1107/s2414314623006235
Publication status	Published - 1 Aug 2023

Keywords

Crystal structure
Isoxazole
Hydrogen-Bonded Chain

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10.1107/s2414314623006235Licence: CC BY

Manan_2023_IUCr-data_Methyl_CC
Copyright (c) 2023 the authors. This is an open-access article distributed under the terms of the Creative Commons Attribution (CC-BY) Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited.
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CCDC 2281787: Experimental Crystal Structure Determination
Manan, M. A. F. A. (Creator), Cordes, D. B. (Creator) & Slawin, A. M. Z. (Creator), Cambridge Crystallographic Data Centre, 2023
DOI: 10.5517/ccdc.csd.cc2gld1j
Dataset

Cite this

@article{fd8c654d83d3442cba0f2319882c650e,

title = "Methyl 4-amino-3-methoxyisoxazole-5-carboxylate",

abstract = "The title compound, C6H8N2O4, a new derivative of isoxazole, has been synthesized and structurally characterized. The crystal structure shows the mol-ecule to be almost planar (r.m.s. deviation for the non-hydrogen atoms = 0.029 {\AA}), this conformation being supported by an intra-molecular N-H⋯O hydrogen bond. In the extended structure, the mol-ecules are linked by N-H⋯O hydrogen bonds into chains propagating along [010].",

keywords = "Crystal structure, Isoxazole, Hydrogen-Bonded Chain",

author = "{Abdul Manan}, {Mohd Abdul Fatah} and Cordes, {David B} and Slawin, {Alexandra M Z}",

note = "The authors acknowledge Universiti Teknologi MARA for financial support.",

year = "2023",

month = aug,

day = "1",

doi = "10.1107/s2414314623006235",

language = "English",

volume = "8",

journal = "IUCrData",

issn = "2414-3146",

publisher = "International Union of Crystallography",

number = "Pt 8",

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TY - JOUR

T1 - Methyl 4-amino-3-methoxyisoxazole-5-carboxylate

AU - Abdul Manan, Mohd Abdul Fatah

AU - Cordes, David B

AU - Slawin, Alexandra M Z

N1 - The authors acknowledge Universiti Teknologi MARA for financial support.

PY - 2023/8/1

Y1 - 2023/8/1

N2 - The title compound, C6H8N2O4, a new derivative of isoxazole, has been synthesized and structurally characterized. The crystal structure shows the mol-ecule to be almost planar (r.m.s. deviation for the non-hydrogen atoms = 0.029 Å), this conformation being supported by an intra-molecular N-H⋯O hydrogen bond. In the extended structure, the mol-ecules are linked by N-H⋯O hydrogen bonds into chains propagating along [010].

AB - The title compound, C6H8N2O4, a new derivative of isoxazole, has been synthesized and structurally characterized. The crystal structure shows the mol-ecule to be almost planar (r.m.s. deviation for the non-hydrogen atoms = 0.029 Å), this conformation being supported by an intra-molecular N-H⋯O hydrogen bond. In the extended structure, the mol-ecules are linked by N-H⋯O hydrogen bonds into chains propagating along [010].

KW - Crystal structure

KW - Isoxazole

KW - Hydrogen-Bonded Chain

U2 - 10.1107/s2414314623006235

DO - 10.1107/s2414314623006235

M3 - Article

SN - 2414-3146

VL - 8

JO - IUCrData

JF - IUCrData

IS - Pt 8

ER -

Methyl 4-amino-3-methoxyisoxazole-5-carboxylate

Abstract

Keywords

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Datasets

CCDC 2281787: Experimental Crystal Structure Determination

Cite this