1-(6-amino-1,3-benzodioxol-5-yl)-3-(4-pyridyl)prop-2-en-1-one crystallizes with Z '=2: hydrogen-bonded supra-molecular substructures in one and two dimensions, each containing only one type of molecule

Paola Cuervo; Rodrigo Abonia; Justo Cobo; John N. Low; Christopher Glidewell

doi:10.1107/S0108270106055545

1-(6-amino-1,3-benzodioxol-5-yl)-3-(4-pyridyl)prop-2-en-1-one crystallizes with Z '=2: hydrogen-bonded supra-molecular substructures in one and two dimensions, each containing only one type of molecule

Paola Cuervo, Rodrigo Abonia, Justo Cobo, John N. Low, Christopher Glidewell

School of Chemistry

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

Abstract

The title compound, C15H12N2O3, crystallizes with Z' = 2 in the space group P (1) over bar and the intramolecular dimensions show evidence for a polarized molecular-electronic structure. Each of the two independent types of molecule forms its own hydrogen-bonded supramolecular substructure, and these are entirely different from one another: one type of molecule forms a chain of edge-fused rings, while the other type forms sheets.

Original language	English
Number of pages	3
Journal	Acta Crystallographica Section C-Crystal Structure Communications
Volume	63
DOIs	https://doi.org/10.1107/S0108270106055545
Publication status	Published - Feb 2007

Keywords

SMALL ORGANIC-MOLECULES
SOLVENT-FREE CONDITIONS
STRUCTURE PREDICTION
CORRESPONDING 2-ARYL-2,3-DIHYDROQUINOLIN-4(1H)-ONES
BLIND TEST
2'-AMINOCHALCONES
CYCLIZATION
CATALYST

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Cuervo, P., Abonia, R., Cobo, J., Low, J. N., & Glidewell, C. (2007). 1-(6-amino-1,3-benzodioxol-5-yl)-3-(4-pyridyl)prop-2-en-1-one crystallizes with Z '=2: hydrogen-bonded supra-molecular substructures in one and two dimensions, each containing only one type of molecule. Acta Crystallographica Section C-Crystal Structure Communications, 63. https://doi.org/10.1107/S0108270106055545

@article{7b838dc830bc4dbea567f8e0d7c517a6,

title = "1-(6-amino-1,3-benzodioxol-5-yl)-3-(4-pyridyl)prop-2-en-1-one crystallizes with Z '=2: hydrogen-bonded supra-molecular substructures in one and two dimensions, each containing only one type of molecule",

abstract = "The title compound, C15H12N2O3, crystallizes with Z' = 2 in the space group P (1) over bar and the intramolecular dimensions show evidence for a polarized molecular-electronic structure. Each of the two independent types of molecule forms its own hydrogen-bonded supramolecular substructure, and these are entirely different from one another: one type of molecule forms a chain of edge-fused rings, while the other type forms sheets.",

keywords = "SMALL ORGANIC-MOLECULES, SOLVENT-FREE CONDITIONS, STRUCTURE PREDICTION, CORRESPONDING 2-ARYL-2,3-DIHYDROQUINOLIN-4(1H)-ONES, BLIND TEST, 2'-AMINOCHALCONES, CYCLIZATION, CATALYST",

author = "Paola Cuervo and Rodrigo Abonia and Justo Cobo and Low, \{John N.\} and Christopher Glidewell",

year = "2007",

month = feb,

doi = "10.1107/S0108270106055545",

language = "English",

volume = "63",

journal = "Acta Crystallographica Section C-Crystal Structure Communications",

issn = "1600-5759",

publisher = "International Union of Crystallography",

}

Cuervo, P, Abonia, R, Cobo, J, Low, JN & Glidewell, C 2007, '1-(6-amino-1,3-benzodioxol-5-yl)-3-(4-pyridyl)prop-2-en-1-one crystallizes with Z '=2: hydrogen-bonded supra-molecular substructures in one and two dimensions, each containing only one type of molecule', Acta Crystallographica Section C-Crystal Structure Communications, vol. 63. https://doi.org/10.1107/S0108270106055545

1-(6-amino-1,3-benzodioxol-5-yl)-3-(4-pyridyl)prop-2-en-1-one crystallizes with Z '=2: hydrogen-bonded supra-molecular substructures in one and two dimensions, each containing only one type of molecule. / Cuervo, Paola; Abonia, Rodrigo; Cobo, Justo et al.
In: Acta Crystallographica Section C-Crystal Structure Communications, Vol. 63, 02.2007.

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

TY - JOUR

T1 - 1-(6-amino-1,3-benzodioxol-5-yl)-3-(4-pyridyl)prop-2-en-1-one crystallizes with Z '=2: hydrogen-bonded supra-molecular substructures in one and two dimensions, each containing only one type of molecule

AU - Cuervo, Paola

AU - Abonia, Rodrigo

AU - Cobo, Justo

AU - Low, John N.

AU - Glidewell, Christopher

PY - 2007/2

Y1 - 2007/2

N2 - The title compound, C15H12N2O3, crystallizes with Z' = 2 in the space group P (1) over bar and the intramolecular dimensions show evidence for a polarized molecular-electronic structure. Each of the two independent types of molecule forms its own hydrogen-bonded supramolecular substructure, and these are entirely different from one another: one type of molecule forms a chain of edge-fused rings, while the other type forms sheets.

AB - The title compound, C15H12N2O3, crystallizes with Z' = 2 in the space group P (1) over bar and the intramolecular dimensions show evidence for a polarized molecular-electronic structure. Each of the two independent types of molecule forms its own hydrogen-bonded supramolecular substructure, and these are entirely different from one another: one type of molecule forms a chain of edge-fused rings, while the other type forms sheets.

KW - SMALL ORGANIC-MOLECULES

KW - SOLVENT-FREE CONDITIONS

KW - STRUCTURE PREDICTION

KW - CORRESPONDING 2-ARYL-2,3-DIHYDROQUINOLIN-4(1H)-ONES

KW - BLIND TEST

KW - 2'-AMINOCHALCONES

KW - CYCLIZATION

KW - CATALYST

UR - https://www.scopus.com/pages/publications/33846983220

U2 - 10.1107/S0108270106055545

DO - 10.1107/S0108270106055545

M3 - Article

SN - 1600-5759

SN - 0108-2701

VL - 63

JO - Acta Crystallographica Section C-Crystal Structure Communications

JF - Acta Crystallographica Section C-Crystal Structure Communications

ER -

1-(6-amino-1,3-benzodioxol-5-yl)-3-(4-pyridyl)prop-2-en-1-one crystallizes with Z '=2: hydrogen-bonded supra-molecular substructures in one and two dimensions, each containing only one type of molecule

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