4-Aminopyridinium 2-chloro-4-nitrobenzoate monohydrate

Kelsey L. Savig; Andreas Lemmerer

doi:10.1107/S1600536812046077

4-Aminopyridinium 2-chloro-4-nitrobenzoate monohydrate

Kelsey L. Savig, Andreas Lemmerer

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

6 Scopus citations

Abstract

In the title hydrated molecular salt, C5H7N2 ⁺·C7H3ClNO4 ^-·H₂O, the ions and water molecules assemble into ribbons of R 6 ⁵(22) rings along the c axis via O(water)- H⋯O^-, N⁺-H⋯O(water) and N-H⋯O ^- hydrogen bonds. N-H⋯O^- hydrogen bonds connect adjacent ribbons along the c-axis direction via R 4 ⁴(12) rings, forming hydrogen-bonded layers. The CO2 and NO2 groups make dihedral angles of 81.8 (2) and 1.4 (2)°, respectively, with the ring in the anion.

Original language	English
Pages (from-to)	o3361
Journal	Acta Crystallographica Section E: Structure Reports Online
Volume	68
Issue number	12
DOIs	https://doi.org/10.1107/S1600536812046077
State	Published - 1 Dec 2012
Externally published	Yes

Keywords

R factor = 0.043
T = 173 K
data-to-parameter ratio = 16.5
mean ω(C-C) = 0.002 Å
single-crystal X-ray study
wR factor = 0.122

ASJC Scopus subject areas

General Chemistry
General Materials Science
Condensed Matter Physics

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Cite this

@article{05efca2e86af4bce9628920ba76c0198,

title = "4-Aminopyridinium 2-chloro-4-nitrobenzoate monohydrate",

abstract = "In the title hydrated molecular salt, C5H7N2 +·C7H3ClNO4 -·H2O, the ions and water molecules assemble into ribbons of R 6 5(22) rings along the c axis via O(water)- H⋯O-, N+-H⋯O(water) and N-H⋯O - hydrogen bonds. N-H⋯O- hydrogen bonds connect adjacent ribbons along the c-axis direction via R 4 4(12) rings, forming hydrogen-bonded layers. The CO2 and NO2 groups make dihedral angles of 81.8 (2) and 1.4 (2)°, respectively, with the ring in the anion.",

keywords = "R factor = 0.043, T = 173 K, data-to-parameter ratio = 16.5, mean ω(C-C) = 0.002 {\AA}, single-crystal X-ray study, wR factor = 0.122",

author = "Savig, \{Kelsey L.\} and Andreas Lemmerer",

year = "2012",

month = dec,

day = "1",

doi = "10.1107/S1600536812046077",

language = "English",

volume = "68",

pages = "o3361",

journal = "Acta Crystallographica Section E: Structure Reports Online",

issn = "1600-5368",

publisher = "International Union of Crystallography",

number = "12",

}

TY - JOUR

T1 - 4-Aminopyridinium 2-chloro-4-nitrobenzoate monohydrate

AU - Savig, Kelsey L.

AU - Lemmerer, Andreas

PY - 2012/12/1

Y1 - 2012/12/1

N2 - In the title hydrated molecular salt, C5H7N2 +·C7H3ClNO4 -·H2O, the ions and water molecules assemble into ribbons of R 6 5(22) rings along the c axis via O(water)- H⋯O-, N+-H⋯O(water) and N-H⋯O - hydrogen bonds. N-H⋯O- hydrogen bonds connect adjacent ribbons along the c-axis direction via R 4 4(12) rings, forming hydrogen-bonded layers. The CO2 and NO2 groups make dihedral angles of 81.8 (2) and 1.4 (2)°, respectively, with the ring in the anion.

AB - In the title hydrated molecular salt, C5H7N2 +·C7H3ClNO4 -·H2O, the ions and water molecules assemble into ribbons of R 6 5(22) rings along the c axis via O(water)- H⋯O-, N+-H⋯O(water) and N-H⋯O - hydrogen bonds. N-H⋯O- hydrogen bonds connect adjacent ribbons along the c-axis direction via R 4 4(12) rings, forming hydrogen-bonded layers. The CO2 and NO2 groups make dihedral angles of 81.8 (2) and 1.4 (2)°, respectively, with the ring in the anion.

KW - R factor = 0.043

KW - T = 173 K

KW - data-to-parameter ratio = 16.5

KW - mean ω(C-C) = 0.002 Å

KW - single-crystal X-ray study

KW - wR factor = 0.122

UR - https://www.scopus.com/pages/publications/84870881700

U2 - 10.1107/S1600536812046077

DO - 10.1107/S1600536812046077

M3 - Article

AN - SCOPUS:84870881700

SN - 1600-5368

VL - 68

SP - o3361

JO - Acta Crystallographica Section E: Structure Reports Online

JF - Acta Crystallographica Section E: Structure Reports Online

IS - 12

ER -

4-Aminopyridinium 2-chloro-4-nitrobenzoate monohydrate

Abstract

Keywords

ASJC Scopus subject areas

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