4-amino-5-(2-hydroxy-4,4-dimethyl-6-oxocyclohexenylmethyl)-1-methyl-2-(methylsulfanyl)pyrimidin-6(1H)-one: hydrogen-bonded chains are pi-stacked in pairs

J N  Low; J  Cobo; S  Cruz; J  Quiroga; C  Glidewell

doi:10.1107/S0108270104001118

4-amino-5-(2-hydroxy-4,4-dimethyl-6-oxocyclohexenylmethyl)-1-methyl-2-(methylsulfanyl)pyrimidin-6(1H)-one: hydrogen-bonded chains are pi-stacked in pairs

J N Low, J Cobo, S Cruz, J Quiroga, C Glidewell

School of Chemistry

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

Abstract

Molecules of the title compound, C15H21N3O3S, have a markedly polarized electronic structure; the carbocyclic ring adopts an envelope conformation and the overall molecular conformation appears to be controlled by two intramolecular hydrogen bonds, one each of the O-H...O and N-H...O types. The molecules are linked into C(6) chains by an intermolecular N-H...O hydrogen bond, and pairs of these hydrogen-bonded chains are linked by a pi-pi stacking interaction.

Original language	English
Number of pages	3
Journal	Acta Crystallographica Section C-Crystal Structure Communications
Volume	60
DOIs	https://doi.org/10.1107/S0108270104001118
Publication status	Published - Mar 2004

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title = "4-amino-5-(2-hydroxy-4,4-dimethyl-6-oxocyclohexenylmethyl)-1-methyl-2-(methylsulfanyl)pyrimidin-6(1H)-one: hydrogen-bonded chains are pi-stacked in pairs",

abstract = "Molecules of the title compound, C15H21N3O3S, have a markedly polarized electronic structure; the carbocyclic ring adopts an envelope conformation and the overall molecular conformation appears to be controlled by two intramolecular hydrogen bonds, one each of the O-H...O and N-H...O types. The molecules are linked into C(6) chains by an intermolecular N-H...O hydrogen bond, and pairs of these hydrogen-bonded chains are linked by a pi-pi stacking interaction.",

author = "Low, \{J N\} and J Cobo and S Cruz and J Quiroga and C Glidewell",

year = "2004",

month = mar,

doi = "10.1107/S0108270104001118",

language = "English",

volume = "60",

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

issn = "1600-5759",

publisher = "International Union of Crystallography",

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TY - JOUR

T1 - 4-amino-5-(2-hydroxy-4,4-dimethyl-6-oxocyclohexenylmethyl)-1-methyl-2-(methylsulfanyl)pyrimidin-6(1H)-one: hydrogen-bonded chains are pi-stacked in pairs

AU - Low, J N

AU - Cobo, J

AU - Cruz, S

AU - Quiroga, J

AU - Glidewell, C

PY - 2004/3

Y1 - 2004/3

N2 - Molecules of the title compound, C15H21N3O3S, have a markedly polarized electronic structure; the carbocyclic ring adopts an envelope conformation and the overall molecular conformation appears to be controlled by two intramolecular hydrogen bonds, one each of the O-H...O and N-H...O types. The molecules are linked into C(6) chains by an intermolecular N-H...O hydrogen bond, and pairs of these hydrogen-bonded chains are linked by a pi-pi stacking interaction.

AB - Molecules of the title compound, C15H21N3O3S, have a markedly polarized electronic structure; the carbocyclic ring adopts an envelope conformation and the overall molecular conformation appears to be controlled by two intramolecular hydrogen bonds, one each of the O-H...O and N-H...O types. The molecules are linked into C(6) chains by an intermolecular N-H...O hydrogen bond, and pairs of these hydrogen-bonded chains are linked by a pi-pi stacking interaction.

UR - https://www.scopus.com/pages/publications/1842634141

U2 - 10.1107/S0108270104001118

DO - 10.1107/S0108270104001118

M3 - Article

SN - 1600-5759

SN - 0108-2701

VL - 60

JO - Acta Crystallographica Section C-Crystal Structure Communications

JF - Acta Crystallographica Section C-Crystal Structure Communications

ER -

4-amino-5-(2-hydroxy-4,4-dimethyl-6-oxocyclohexenylmethyl)-1-methyl-2-(methylsulfanyl)pyrimidin-6(1H)-one: hydrogen-bonded chains are pi-stacked in pairs

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