Crystal structure of 2-amino-3-ethyl-4,5-dihydro-1,3-thiazol-3-ium 3-chlorobenzoate

Sara Maira M Hizam, Bohari Mohd. Yamin

Research output: Contribution to journalArticle

Abstract

The title salt, C5H11N2S+·C7H4ClO2 -, comprises a 2-amino-3-ethyl-4,5-dihydro-1,3-thiazol-3-ium cation in which the five-membered ring adopts an envelope conformation with the methylene C adjacent to the S atom being the flap, and a planar 3-chlorobenzoate anion (r.m.s. deviation for the 10 non-H atoms = 0.021 Å). The most prominent feature of the crystal packing are N - H⋯O hydrogen bonds whereby the two amine H atoms bridge two carboxylate O atoms resulting in the formation of a centrosymmetric 12-membered {⋯HNH⋯OCO}2 synthon involving two cations and two anions. These aggregates are linked by C - H⋯O interactions to form a supramolecular chain along the a-axis direction.

Original languageEnglish
Pages (from-to)o378
JournalActa Crystallographica Section E: Crystallographic Communications
Volume71
DOIs
Publication statusPublished - 2015

Fingerprint

Crystal structure
Atoms
crystal structure
Anions
atoms
Cations
Negative ions
Positive ions
anions
cations
methylene
carboxylates
Amines
Conformations
Hydrogen bonds
amines
envelopes
Salts
hydrogen bonds
salts

Keywords

  • 2-amino-3-ethyl-4,5-dihydro-1,3-thiazol-3-ium cation;
  • 3-chlorobenzoate anion;
  • Crystal structure;
  • Hydrogen bonding.
  • Salt;

ASJC Scopus subject areas

  • Chemistry(all)
  • Materials Science(all)
  • Condensed Matter Physics

Cite this

Crystal structure of 2-amino-3-ethyl-4,5-dihydro-1,3-thiazol-3-ium 3-chlorobenzoate. / Hizam, Sara Maira M; Mohd. Yamin, Bohari.

In: Acta Crystallographica Section E: Crystallographic Communications, Vol. 71, 2015, p. o378.

Research output: Contribution to journalArticle

@article{2bafc27b471249148e6db349766e69e4,
title = "Crystal structure of 2-amino-3-ethyl-4,5-dihydro-1,3-thiazol-3-ium 3-chlorobenzoate",
abstract = "The title salt, C5H11N2S+·C7H4ClO2 -, comprises a 2-amino-3-ethyl-4,5-dihydro-1,3-thiazol-3-ium cation in which the five-membered ring adopts an envelope conformation with the methylene C adjacent to the S atom being the flap, and a planar 3-chlorobenzoate anion (r.m.s. deviation for the 10 non-H atoms = 0.021 {\AA}). The most prominent feature of the crystal packing are N - H⋯O hydrogen bonds whereby the two amine H atoms bridge two carboxylate O atoms resulting in the formation of a centrosymmetric 12-membered {⋯HNH⋯OCO}2 synthon involving two cations and two anions. These aggregates are linked by C - H⋯O interactions to form a supramolecular chain along the a-axis direction.",
keywords = "2-amino-3-ethyl-4,5-dihydro-1,3-thiazol-3-ium cation;, 3-chlorobenzoate anion;, Crystal structure;, Hydrogen bonding., Salt;",
author = "Hizam, {Sara Maira M} and {Mohd. Yamin}, Bohari",
year = "2015",
doi = "10.1107/S2056989015008385",
language = "English",
volume = "71",
pages = "o378",
journal = "Acta Crystallographica Section E: Crystallographic Communications",
issn = "2056-9890",
publisher = "International Union of Crystallography",

}

TY - JOUR

T1 - Crystal structure of 2-amino-3-ethyl-4,5-dihydro-1,3-thiazol-3-ium 3-chlorobenzoate

AU - Hizam, Sara Maira M

AU - Mohd. Yamin, Bohari

PY - 2015

Y1 - 2015

N2 - The title salt, C5H11N2S+·C7H4ClO2 -, comprises a 2-amino-3-ethyl-4,5-dihydro-1,3-thiazol-3-ium cation in which the five-membered ring adopts an envelope conformation with the methylene C adjacent to the S atom being the flap, and a planar 3-chlorobenzoate anion (r.m.s. deviation for the 10 non-H atoms = 0.021 Å). The most prominent feature of the crystal packing are N - H⋯O hydrogen bonds whereby the two amine H atoms bridge two carboxylate O atoms resulting in the formation of a centrosymmetric 12-membered {⋯HNH⋯OCO}2 synthon involving two cations and two anions. These aggregates are linked by C - H⋯O interactions to form a supramolecular chain along the a-axis direction.

AB - The title salt, C5H11N2S+·C7H4ClO2 -, comprises a 2-amino-3-ethyl-4,5-dihydro-1,3-thiazol-3-ium cation in which the five-membered ring adopts an envelope conformation with the methylene C adjacent to the S atom being the flap, and a planar 3-chlorobenzoate anion (r.m.s. deviation for the 10 non-H atoms = 0.021 Å). The most prominent feature of the crystal packing are N - H⋯O hydrogen bonds whereby the two amine H atoms bridge two carboxylate O atoms resulting in the formation of a centrosymmetric 12-membered {⋯HNH⋯OCO}2 synthon involving two cations and two anions. These aggregates are linked by C - H⋯O interactions to form a supramolecular chain along the a-axis direction.

KW - 2-amino-3-ethyl-4,5-dihydro-1,3-thiazol-3-ium cation;

KW - 3-chlorobenzoate anion;

KW - Crystal structure;

KW - Hydrogen bonding.

KW - Salt;

UR - http://www.scopus.com/inward/record.url?scp=84988227723&partnerID=8YFLogxK

UR - http://www.scopus.com/inward/citedby.url?scp=84988227723&partnerID=8YFLogxK

U2 - 10.1107/S2056989015008385

DO - 10.1107/S2056989015008385

M3 - Article

VL - 71

SP - o378

JO - Acta Crystallographica Section E: Crystallographic Communications

JF - Acta Crystallographica Section E: Crystallographic Communications

SN - 2056-9890

ER -