Two new structures in the glycine-oxalic acid system

Nikolay A. Tumanov, Elena V. Boldyreva, Natalia E. Shikina

Résultats de recherche: Contribution à un journal/une revueArticle

Résumé

Glycinium semi-oxalate-II, C2H6NO2 +·C2HO4 -, (A), and diglycin-ium oxalate methanol disolvate, 2C2H6NO 2 +·C2O4 2-·2CH3OH, (B), are new examples in the glycine-oxalic acid family. (A) is a new polymorph of the known glycinium semi-oxalate salt, (C). Compounds (A) and (C) have a similar packing of the semi-oxalate monoanions with respect to the glycinium cations, but in (A) the two glycinium cations and the two semi-oxalate anions in the asymmetric unit are non-equivalent, and the binding of the glycinium cations to each other is radically different. Based on this difference, one can expect that, although the two forms grow concomitantly from the same batch, a transformation between (A) and (C) in the solid state should be difficult. In (B), two glycinium cations and an oxalate anion, which sits across a centre of inversion, are linked via strong short O-H⋯O hydrogen bonds to form the main structural fragment, similar to that in diglycinium oxalate, (D). Methanol solvent mol-ecules are embedded between the glycinium cations of neighbouring fragments. These fragments form a three-dimensional network via N-H⋯O hydrogen bonds. Salts (B) and (D) can be obtained from the same solution by, respectively, slow or rapid anti-solvent crystallization.

langue originaleAnglais
journalActa crystallographica Section C: Crystal Structure communications
Volume66
Numéro de publication6
Les DOIs
étatPublié - 2010
Modification externeOui

Empreinte digitale

Oxalic Acid
Oxalates
Glycine
Cations
Anions
Methanol
Hydrogen
Hydrogen bonds
Salts
Crystallization
Polymorphism

Citer ceci

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abstract = "Glycinium semi-oxalate-II, C2H6NO2 +·C2HO4 -, (A), and diglycin-ium oxalate methanol disolvate, 2C2H6NO 2 +·C2O4 2-·2CH3OH, (B), are new examples in the glycine-oxalic acid family. (A) is a new polymorph of the known glycinium semi-oxalate salt, (C). Compounds (A) and (C) have a similar packing of the semi-oxalate monoanions with respect to the glycinium cations, but in (A) the two glycinium cations and the two semi-oxalate anions in the asymmetric unit are non-equivalent, and the binding of the glycinium cations to each other is radically different. Based on this difference, one can expect that, although the two forms grow concomitantly from the same batch, a transformation between (A) and (C) in the solid state should be difficult. In (B), two glycinium cations and an oxalate anion, which sits across a centre of inversion, are linked via strong short O-H⋯O hydrogen bonds to form the main structural fragment, similar to that in diglycinium oxalate, (D). Methanol solvent mol-ecules are embedded between the glycinium cations of neighbouring fragments. These fragments form a three-dimensional network via N-H⋯O hydrogen bonds. Salts (B) and (D) can be obtained from the same solution by, respectively, slow or rapid anti-solvent crystallization.",
author = "Tumanov, {Nikolay A.} and Boldyreva, {Elena V.} and Shikina, {Natalia E.}",
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Two new structures in the glycine-oxalic acid system. / Tumanov, Nikolay A.; Boldyreva, Elena V.; Shikina, Natalia E.

Dans: Acta crystallographica Section C: Crystal Structure communications, Vol 66, Numéro 6, 2010.

Résultats de recherche: Contribution à un journal/une revueArticle

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T1 - Two new structures in the glycine-oxalic acid system

AU - Tumanov, Nikolay A.

AU - Boldyreva, Elena V.

AU - Shikina, Natalia E.

PY - 2010

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N2 - Glycinium semi-oxalate-II, C2H6NO2 +·C2HO4 -, (A), and diglycin-ium oxalate methanol disolvate, 2C2H6NO 2 +·C2O4 2-·2CH3OH, (B), are new examples in the glycine-oxalic acid family. (A) is a new polymorph of the known glycinium semi-oxalate salt, (C). Compounds (A) and (C) have a similar packing of the semi-oxalate monoanions with respect to the glycinium cations, but in (A) the two glycinium cations and the two semi-oxalate anions in the asymmetric unit are non-equivalent, and the binding of the glycinium cations to each other is radically different. Based on this difference, one can expect that, although the two forms grow concomitantly from the same batch, a transformation between (A) and (C) in the solid state should be difficult. In (B), two glycinium cations and an oxalate anion, which sits across a centre of inversion, are linked via strong short O-H⋯O hydrogen bonds to form the main structural fragment, similar to that in diglycinium oxalate, (D). Methanol solvent mol-ecules are embedded between the glycinium cations of neighbouring fragments. These fragments form a three-dimensional network via N-H⋯O hydrogen bonds. Salts (B) and (D) can be obtained from the same solution by, respectively, slow or rapid anti-solvent crystallization.

AB - Glycinium semi-oxalate-II, C2H6NO2 +·C2HO4 -, (A), and diglycin-ium oxalate methanol disolvate, 2C2H6NO 2 +·C2O4 2-·2CH3OH, (B), are new examples in the glycine-oxalic acid family. (A) is a new polymorph of the known glycinium semi-oxalate salt, (C). Compounds (A) and (C) have a similar packing of the semi-oxalate monoanions with respect to the glycinium cations, but in (A) the two glycinium cations and the two semi-oxalate anions in the asymmetric unit are non-equivalent, and the binding of the glycinium cations to each other is radically different. Based on this difference, one can expect that, although the two forms grow concomitantly from the same batch, a transformation between (A) and (C) in the solid state should be difficult. In (B), two glycinium cations and an oxalate anion, which sits across a centre of inversion, are linked via strong short O-H⋯O hydrogen bonds to form the main structural fragment, similar to that in diglycinium oxalate, (D). Methanol solvent mol-ecules are embedded between the glycinium cations of neighbouring fragments. These fragments form a three-dimensional network via N-H⋯O hydrogen bonds. Salts (B) and (D) can be obtained from the same solution by, respectively, slow or rapid anti-solvent crystallization.

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