Hydrogen bonding in C-substituted nitroanilines: molecular ladders in 2-trifluoromethyl-4-nitroaniline and sheets of R-4(4)(12) and R-4(4)(32) rings in 3-trifluoromethyl-4-nitroaniline

C Glidewell, J N Low, S A McWilliam, Jan Skakle, J L Wardell

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Abstract

In 2-trifluoromethyl-4-nitroaniline, C7H5F3N2O2, (I), the molecules lie across a mirror plane in space group Pnma. The molecules are linked by paired N-H...O hydrogen bonds to form a C(8)[R-2(2)(6)] chain of rings, pairs of which are linked into a molecular ladder by a single C-H...O hydrogen bond. The isomeric 3-trifluoromethyl-4-nitroaniline, (II), has Z' = 2 in space group P2(1)/c. Each molecule is linked to four others by N-H...O hydrogen bonds to form sheets built from alternating R-4(4)(12) and R-4(4)(32) rings.

Original languageEnglish
Pages (from-to)o97-o99
Number of pages3
JournalActa Crystallographica Section C, Crystal Structure Communications
Volume58
Issue number2
DOIs
Publication statusPublished - Feb 2002

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Ladders
Hydrogen Bonding
Hydrogen
Hydrogen bonds
Molecules
Mirrors
4-nitroaniline
nitroaniline

Keywords

  • crystal

Cite this

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title = "Hydrogen bonding in C-substituted nitroanilines: molecular ladders in 2-trifluoromethyl-4-nitroaniline and sheets of R-4(4)(12) and R-4(4)(32) rings in 3-trifluoromethyl-4-nitroaniline",
abstract = "In 2-trifluoromethyl-4-nitroaniline, C7H5F3N2O2, (I), the molecules lie across a mirror plane in space group Pnma. The molecules are linked by paired N-H...O hydrogen bonds to form a C(8)[R-2(2)(6)] chain of rings, pairs of which are linked into a molecular ladder by a single C-H...O hydrogen bond. The isomeric 3-trifluoromethyl-4-nitroaniline, (II), has Z' = 2 in space group P2(1)/c. Each molecule is linked to four others by N-H...O hydrogen bonds to form sheets built from alternating R-4(4)(12) and R-4(4)(32) rings.",
keywords = "crystal",
author = "C Glidewell and Low, {J N} and McWilliam, {S A} and Jan Skakle and Wardell, {J L}",
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TY - JOUR

T1 - Hydrogen bonding in C-substituted nitroanilines: molecular ladders in 2-trifluoromethyl-4-nitroaniline and sheets of R-4(4)(12) and R-4(4)(32) rings in 3-trifluoromethyl-4-nitroaniline

AU - Glidewell, C

AU - Low, J N

AU - McWilliam, S A

AU - Skakle, Jan

AU - Wardell, J L

PY - 2002/2

Y1 - 2002/2

N2 - In 2-trifluoromethyl-4-nitroaniline, C7H5F3N2O2, (I), the molecules lie across a mirror plane in space group Pnma. The molecules are linked by paired N-H...O hydrogen bonds to form a C(8)[R-2(2)(6)] chain of rings, pairs of which are linked into a molecular ladder by a single C-H...O hydrogen bond. The isomeric 3-trifluoromethyl-4-nitroaniline, (II), has Z' = 2 in space group P2(1)/c. Each molecule is linked to four others by N-H...O hydrogen bonds to form sheets built from alternating R-4(4)(12) and R-4(4)(32) rings.

AB - In 2-trifluoromethyl-4-nitroaniline, C7H5F3N2O2, (I), the molecules lie across a mirror plane in space group Pnma. The molecules are linked by paired N-H...O hydrogen bonds to form a C(8)[R-2(2)(6)] chain of rings, pairs of which are linked into a molecular ladder by a single C-H...O hydrogen bond. The isomeric 3-trifluoromethyl-4-nitroaniline, (II), has Z' = 2 in space group P2(1)/c. Each molecule is linked to four others by N-H...O hydrogen bonds to form sheets built from alternating R-4(4)(12) and R-4(4)(32) rings.

KW - crystal

U2 - 10.1107/S0108270101021254

DO - 10.1107/S0108270101021254

M3 - Article

VL - 58

SP - o97-o99

JO - Acta Crystallographica Section C, Crystal Structure Communications

JF - Acta Crystallographica Section C, Crystal Structure Communications

SN - 0108-2701

IS - 2

ER -