N-(2-Amino-1,6-dihydro-5-nitroso-6-oxopyrimidin-4-yl)-L-isoleucine-water (4/1): interplay of molecular and supramolecular structures

J N  Low; D  Cannon; A  Quesada; A  Marchal; M  Melguizo; M  Nogueras; A  Sanchez; C  Glidewell

doi:10.1107/S0108270101002475

N-(2-Amino-1,6-dihydro-5-nitroso-6-oxopyrimidin-4-yl)-L-isoleucine-water (4/1): interplay of molecular and supramolecular structures

J N Low, D Cannon, A Quesada, A Marchal, M Melguizo, M Nogueras, A Sanchez, C Glidewell

School of Chemistry

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

Abstract

In the title compound, 2C(10)H(15)N(5)O(4) .0.5H(2)O, there are two independent molecules of the pyrimidinylisoleucine in general positions and a water molecule lying on a twofold rotation axis. The bond lengths within the organic moieties demonstrate significant polarization of the electronic structure. Each of the organic molecules participates in 12 intermolecular hydrogen bonds, of O--H . . . O and N--H . . . O types, while the water molecule acts as a double donor and as a double acceptor of O--H . . . O hydrogen bonds. The organic components are linked by the hydrogen bonds into a single three-dimensional framework, reinforced by the water molecules.

Original language	English
Pages (from-to)	604-607
Number of pages	4
Journal	Acta Crystallographica Section C: Crystal Structure Communications
Volume	57
Issue number	5
DOIs	https://doi.org/10.1107/S0108270101002475
Publication status	Published - May 2001

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DIFFRACTION DATA

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10.1107/S0108270101002475

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Low, J. N., Cannon, D., Quesada, A., Marchal, A., Melguizo, M., Nogueras, M., Sanchez, A., & Glidewell, C. (2001). N-(2-Amino-1,6-dihydro-5-nitroso-6-oxopyrimidin-4-yl)-L-isoleucine-water (4/1): interplay of molecular and supramolecular structures. Acta Crystallographica Section C: Crystal Structure Communications, 57(5), 604-607. https://doi.org/10.1107/S0108270101002475

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title = "N-(2-Amino-1,6-dihydro-5-nitroso-6-oxopyrimidin-4-yl)-L-isoleucine-water (4/1): interplay of molecular and supramolecular structures",

abstract = "In the title compound, 2C(10)H(15)N(5)O(4) .0.5H(2)O, there are two independent molecules of the pyrimidinylisoleucine in general positions and a water molecule lying on a twofold rotation axis. The bond lengths within the organic moieties demonstrate significant polarization of the electronic structure. Each of the organic molecules participates in 12 intermolecular hydrogen bonds, of O--H . . . O and N--H . . . O types, while the water molecule acts as a double donor and as a double acceptor of O--H . . . O hydrogen bonds. The organic components are linked by the hydrogen bonds into a single three-dimensional framework, reinforced by the water molecules.",

keywords = "DIFFRACTION DATA",

author = "Low, \{J N\} and D Cannon and A Quesada and A Marchal and M Melguizo and M Nogueras and A Sanchez and C Glidewell",

year = "2001",

month = may,

doi = "10.1107/S0108270101002475",

language = "English",

volume = "57",

pages = "604--607",

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

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Low, JN, Cannon, D, Quesada, A, Marchal, A, Melguizo, M, Nogueras, M, Sanchez, A & Glidewell, C 2001, 'N-(2-Amino-1,6-dihydro-5-nitroso-6-oxopyrimidin-4-yl)-L-isoleucine-water (4/1): interplay of molecular and supramolecular structures', Acta Crystallographica Section C: Crystal Structure Communications, vol. 57, no. 5, pp. 604-607. https://doi.org/10.1107/S0108270101002475

TY - JOUR

T1 - N-(2-Amino-1,6-dihydro-5-nitroso-6-oxopyrimidin-4-yl)-L-isoleucine-water (4/1): interplay of molecular and supramolecular structures

AU - Low, J N

AU - Cannon, D

AU - Quesada, A

AU - Marchal, A

AU - Melguizo, M

AU - Nogueras, M

AU - Sanchez, A

AU - Glidewell, C

PY - 2001/5

Y1 - 2001/5

N2 - In the title compound, 2C(10)H(15)N(5)O(4) .0.5H(2)O, there are two independent molecules of the pyrimidinylisoleucine in general positions and a water molecule lying on a twofold rotation axis. The bond lengths within the organic moieties demonstrate significant polarization of the electronic structure. Each of the organic molecules participates in 12 intermolecular hydrogen bonds, of O--H . . . O and N--H . . . O types, while the water molecule acts as a double donor and as a double acceptor of O--H . . . O hydrogen bonds. The organic components are linked by the hydrogen bonds into a single three-dimensional framework, reinforced by the water molecules.

AB - In the title compound, 2C(10)H(15)N(5)O(4) .0.5H(2)O, there are two independent molecules of the pyrimidinylisoleucine in general positions and a water molecule lying on a twofold rotation axis. The bond lengths within the organic moieties demonstrate significant polarization of the electronic structure. Each of the organic molecules participates in 12 intermolecular hydrogen bonds, of O--H . . . O and N--H . . . O types, while the water molecule acts as a double donor and as a double acceptor of O--H . . . O hydrogen bonds. The organic components are linked by the hydrogen bonds into a single three-dimensional framework, reinforced by the water molecules.

KW - DIFFRACTION DATA

UR - https://www.scopus.com/pages/publications/0035338772

U2 - 10.1107/S0108270101002475

DO - 10.1107/S0108270101002475

M3 - Article

SN - 0108-2701

VL - 57

SP - 604

EP - 607

JO - Acta Crystallographica Section C: Crystal Structure Communications

JF - Acta Crystallographica Section C: Crystal Structure Communications

IS - 5

ER -

N-(2-Amino-1,6-dihydro-5-nitroso-6-oxopyrimidin-4-yl)-L-isoleucine-water (4/1): interplay of molecular and supramolecular structures

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