3-Nitrophthalic acid: C(4) and R-2(2)(8) motifs of O-H center dot center dot center dot O hydrogen bonds generate sheets which are linked by C-H center dot center dot center dot O hydrogen bonds

C Glidewell, J N Low, J M S Skakle, J L Wardell

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12 Citations (Scopus)

Abstract

In molecules of 3-nitrophthalic acid, C8H5NO6, the 2-carboxyl group, which is the central of the three substituents, is almost orthogonal to the arene ring, while the other two substituents are effectively coplanar with the ring. The molecules are linked by two O-H...O hydrogen bonds [H...O = 1.86 and 1.89 Angstrom, O...O = 2.6983 (13) and 2.6809 (12) Angstrom, and O-H...O = 172 and 155degrees] into sheets containing alternating R-2(2) (8) and R-6(6) (36) rings; these sheets are linked into a three-dimensional framework by a single C-H...O hydrogen bond [H...O = 2.41 Angstrom, C...O = 3.2663 (15) Angstrom and C-H...O = 150degrees].

Original languageEnglish
Pages (from-to)o144-o146
Number of pages3
JournalActa Crystallographica Section C, Crystal Structure Communications
VolumeC59
Issue number3
DOIs
Publication statusPublished - 2003

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Hydrogen
Hydrogen bonds
Molecules
Acids
rifazone-82

Keywords

  • neutron-diffraction
  • crystal-structure
  • benzoic-acid
  • tempature

Cite this

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title = "3-Nitrophthalic acid: C(4) and R-2(2)(8) motifs of O-H center dot center dot center dot O hydrogen bonds generate sheets which are linked by C-H center dot center dot center dot O hydrogen bonds",
abstract = "In molecules of 3-nitrophthalic acid, C8H5NO6, the 2-carboxyl group, which is the central of the three substituents, is almost orthogonal to the arene ring, while the other two substituents are effectively coplanar with the ring. The molecules are linked by two O-H...O hydrogen bonds [H...O = 1.86 and 1.89 Angstrom, O...O = 2.6983 (13) and 2.6809 (12) Angstrom, and O-H...O = 172 and 155degrees] into sheets containing alternating R-2(2) (8) and R-6(6) (36) rings; these sheets are linked into a three-dimensional framework by a single C-H...O hydrogen bond [H...O = 2.41 Angstrom, C...O = 3.2663 (15) Angstrom and C-H...O = 150degrees].",
keywords = "neutron-diffraction, crystal-structure, benzoic-acid, tempature",
author = "C Glidewell and Low, {J N} and Skakle, {J M S} and Wardell, {J L}",
year = "2003",
doi = "10.1107/S0108270103002555",
language = "English",
volume = "C59",
pages = "o144--o146",
journal = "Acta Crystallographica Section C, Crystal Structure Communications",
issn = "0108-2701",
publisher = "Wiley-Blackwell",
number = "3",

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TY - JOUR

T1 - 3-Nitrophthalic acid: C(4) and R-2(2)(8) motifs of O-H center dot center dot center dot O hydrogen bonds generate sheets which are linked by C-H center dot center dot center dot O hydrogen bonds

AU - Glidewell, C

AU - Low, J N

AU - Skakle, J M S

AU - Wardell, J L

PY - 2003

Y1 - 2003

N2 - In molecules of 3-nitrophthalic acid, C8H5NO6, the 2-carboxyl group, which is the central of the three substituents, is almost orthogonal to the arene ring, while the other two substituents are effectively coplanar with the ring. The molecules are linked by two O-H...O hydrogen bonds [H...O = 1.86 and 1.89 Angstrom, O...O = 2.6983 (13) and 2.6809 (12) Angstrom, and O-H...O = 172 and 155degrees] into sheets containing alternating R-2(2) (8) and R-6(6) (36) rings; these sheets are linked into a three-dimensional framework by a single C-H...O hydrogen bond [H...O = 2.41 Angstrom, C...O = 3.2663 (15) Angstrom and C-H...O = 150degrees].

AB - In molecules of 3-nitrophthalic acid, C8H5NO6, the 2-carboxyl group, which is the central of the three substituents, is almost orthogonal to the arene ring, while the other two substituents are effectively coplanar with the ring. The molecules are linked by two O-H...O hydrogen bonds [H...O = 1.86 and 1.89 Angstrom, O...O = 2.6983 (13) and 2.6809 (12) Angstrom, and O-H...O = 172 and 155degrees] into sheets containing alternating R-2(2) (8) and R-6(6) (36) rings; these sheets are linked into a three-dimensional framework by a single C-H...O hydrogen bond [H...O = 2.41 Angstrom, C...O = 3.2663 (15) Angstrom and C-H...O = 150degrees].

KW - neutron-diffraction

KW - crystal-structure

KW - benzoic-acid

KW - tempature

U2 - 10.1107/S0108270103002555

DO - 10.1107/S0108270103002555

M3 - Article

VL - C59

SP - o144-o146

JO - Acta Crystallographica Section C, Crystal Structure Communications

JF - Acta Crystallographica Section C, Crystal Structure Communications

SN - 0108-2701

IS - 3

ER -