3-[(2-Aminoethyl)iminomethyl]-4-hydroxybenzoic acid 0.28-hydrate

Mark Whitener, Cyrene Bolt De Freitas, Andres Zavaleta

Research output: Contribution to journalArticleResearchpeer-review

Abstract

The title compound crystallizes as a hydrated zwitterion with thec site for the water molecule only partially occupied [site-occupancy factor 0.28 (1)] and a formula of C10H12N2O3.0.28H2O. The hydroxyl H atoms forms an intramolecular hydrogen bond to the imine N atom. The NH3 + and COO- groups of the zwitterion form a two-dimwntional hydrogen-bond network that runs parallel to the ac plane. The water molecule forms hydrogen bonds to a hydroxyl O atom and a carboxylate O atom adjacent molecules.

Original languageEnglish
Pages (from-to)1119-1121
Number of pages3
JournalActa Crystallographica Section C: Crystal Structure Communications
Volume54
Issue number8
DOIs
StatePublished - 15 Aug 1998

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Hydrates
Hydrogen
Hydroxyl Radical
Atoms
Hydrogen bonds
Molecules
Imines
Water
4-hydroxybenzoic acid

Cite this

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title = "3-[(2-Aminoethyl)iminomethyl]-4-hydroxybenzoic acid 0.28-hydrate",
abstract = "The title compound crystallizes as a hydrated zwitterion with thec site for the water molecule only partially occupied [site-occupancy factor 0.28 (1)] and a formula of C10H12N2O3.0.28H2O. The hydroxyl H atoms forms an intramolecular hydrogen bond to the imine N atom. The NH3 + and COO- groups of the zwitterion form a two-dimwntional hydrogen-bond network that runs parallel to the ac plane. The water molecule forms hydrogen bonds to a hydroxyl O atom and a carboxylate O atom adjacent molecules.",
author = "Mark Whitener and {De Freitas}, {Cyrene Bolt} and Andres Zavaleta",
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language = "English",
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publisher = "International Union of Crystallography",
number = "8",

}

3-[(2-Aminoethyl)iminomethyl]-4-hydroxybenzoic acid 0.28-hydrate. / Whitener, Mark; De Freitas, Cyrene Bolt; Zavaleta, Andres.

In: Acta Crystallographica Section C: Crystal Structure Communications, Vol. 54, No. 8, 15.08.1998, p. 1119-1121.

Research output: Contribution to journalArticleResearchpeer-review

TY - JOUR

T1 - 3-[(2-Aminoethyl)iminomethyl]-4-hydroxybenzoic acid 0.28-hydrate

AU - Whitener, Mark

AU - De Freitas, Cyrene Bolt

AU - Zavaleta, Andres

PY - 1998/8/15

Y1 - 1998/8/15

N2 - The title compound crystallizes as a hydrated zwitterion with thec site for the water molecule only partially occupied [site-occupancy factor 0.28 (1)] and a formula of C10H12N2O3.0.28H2O. The hydroxyl H atoms forms an intramolecular hydrogen bond to the imine N atom. The NH3 + and COO- groups of the zwitterion form a two-dimwntional hydrogen-bond network that runs parallel to the ac plane. The water molecule forms hydrogen bonds to a hydroxyl O atom and a carboxylate O atom adjacent molecules.

AB - The title compound crystallizes as a hydrated zwitterion with thec site for the water molecule only partially occupied [site-occupancy factor 0.28 (1)] and a formula of C10H12N2O3.0.28H2O. The hydroxyl H atoms forms an intramolecular hydrogen bond to the imine N atom. The NH3 + and COO- groups of the zwitterion form a two-dimwntional hydrogen-bond network that runs parallel to the ac plane. The water molecule forms hydrogen bonds to a hydroxyl O atom and a carboxylate O atom adjacent molecules.

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U2 - 10.1107/S010827019800273X

DO - 10.1107/S010827019800273X

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VL - 54

SP - 1119

EP - 1121

JO - Acta Crystallographica Section C: Crystal Structure Communications

JF - Acta Crystallographica Section C: Crystal Structure Communications

SN - 0108-2701

IS - 8

ER -