In-situ cryocrystallization of 1,2-dimethy1-3-nitrobenzene and 2,4-dimethyl-1-nitrobenzene

Hazel A. Sparkes; Henry J. Sage; Dmitry S. Yufit

doi:10.1107/S2053229614017896

In-situ cryocrystallization of 1,2-dimethy1-3-nitrobenzene and 2,4-dimethyl-1-nitrobenzene

Hazel A. Sparkes^*, Henry J. Sage, Dmitry S. Yufit

^*Corresponding author for this work

School of Chemistry

Research output: Contribution to journal › Article (Academic Journal) › peer-review

1 Citation (Scopus)

Abstract

The crystal structures of 1,2-dimethyl-3-nitrobenzene, C8H9NO2, and 2,4-dimethyl-1-nitrobenzene, C8H9NO2, which are liquids at room temperature, have been obtained through in-situ cryocrystallization. Weak C-H center dot center dot center dot O and also pi-pi interactions are present in both crystal structures.

Original language	English
Pages (from-to)	872-+
Number of pages	10
Journal	Acta Crystallographica Section C: Crystal Structure Communications
Volume	70
DOIs	https://doi.org/10.1107/S2053229614017896
Publication status	Published - Sep 2014

Keywords

crystal structure
in-situ cryocrystallization
nitrobenzenes
Cambridge Structural Database search
Hirshfeld surface analysis
1,2-dimethyl-3-nitrobenzene
2,4-dimethyl-1-nitrobenzene
MOLECULAR-COMPLEXES
CRYSTAL-STRUCTURES
HYDROGEN-BONDS
ACETYLENE

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@article{cec53aaf584c441485aa1bf68b121eb3,

title = "In-situ cryocrystallization of 1,2-dimethy1-3-nitrobenzene and 2,4-dimethyl-1-nitrobenzene",

abstract = "The crystal structures of 1,2-dimethyl-3-nitrobenzene, C8H9NO2, and 2,4-dimethyl-1-nitrobenzene, C8H9NO2, which are liquids at room temperature, have been obtained through in-situ cryocrystallization. Weak C-H center dot center dot center dot O and also pi-pi interactions are present in both crystal structures.",

keywords = "crystal structure, in-situ cryocrystallization, nitrobenzenes, Cambridge Structural Database search, Hirshfeld surface analysis, 1,2-dimethyl-3-nitrobenzene, 2,4-dimethyl-1-nitrobenzene, MOLECULAR-COMPLEXES, CRYSTAL-STRUCTURES, HYDROGEN-BONDS, ACETYLENE",

author = "Sparkes, {Hazel A.} and Sage, {Henry J.} and Yufit, {Dmitry S.}",

year = "2014",

month = sep,

doi = "10.1107/S2053229614017896",

language = "English",

volume = "70",

pages = "872--+",

journal = "Acta Crystallographica Section C: Crystal Structure Communications",

issn = "0108-2701",

publisher = "Munksgaard International Publishers",

}

TY - JOUR

T1 - In-situ cryocrystallization of 1,2-dimethy1-3-nitrobenzene and 2,4-dimethyl-1-nitrobenzene

AU - Sparkes, Hazel A.

AU - Sage, Henry J.

AU - Yufit, Dmitry S.

PY - 2014/9

Y1 - 2014/9

N2 - The crystal structures of 1,2-dimethyl-3-nitrobenzene, C8H9NO2, and 2,4-dimethyl-1-nitrobenzene, C8H9NO2, which are liquids at room temperature, have been obtained through in-situ cryocrystallization. Weak C-H center dot center dot center dot O and also pi-pi interactions are present in both crystal structures.

AB - The crystal structures of 1,2-dimethyl-3-nitrobenzene, C8H9NO2, and 2,4-dimethyl-1-nitrobenzene, C8H9NO2, which are liquids at room temperature, have been obtained through in-situ cryocrystallization. Weak C-H center dot center dot center dot O and also pi-pi interactions are present in both crystal structures.

KW - crystal structure

KW - in-situ cryocrystallization

KW - nitrobenzenes

KW - Cambridge Structural Database search

KW - Hirshfeld surface analysis

KW - 1,2-dimethyl-3-nitrobenzene

KW - 2,4-dimethyl-1-nitrobenzene

KW - MOLECULAR-COMPLEXES

KW - CRYSTAL-STRUCTURES

KW - HYDROGEN-BONDS

KW - ACETYLENE

U2 - 10.1107/S2053229614017896

DO - 10.1107/S2053229614017896

M3 - Article (Academic Journal)

C2 - 25186360

VL - 70

SP - 872-+

JO - Acta Crystallographica Section C: Crystal Structure Communications

JF - Acta Crystallographica Section C: Crystal Structure Communications

SN - 0108-2701

ER -

In-situ cryocrystallization of 1,2-dimethy1-3-nitrobenzene and 2,4-dimethyl-1-nitrobenzene

Abstract

Keywords

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