Simple chains in methyl 3,5-dinitrobenzoate, isolated molecules in isopropyl 3,5-dinitrobenzoate, and a three-dimensional framework containing double and sextuple helices in benzyl 3,5-dinitrobenzoate, all at 120 K

T R A  Vasconcelos; M V N  de Souza; S M S V  Wardell; J L  Wardell; J N  Low; C  Glidewell

doi:10.1107/S0108270105038631

Simple chains in methyl 3,5-dinitrobenzoate, isolated molecules in isopropyl 3,5-dinitrobenzoate, and a three-dimensional framework containing double and sextuple helices in benzyl 3,5-dinitrobenzoate, all at 120 K

T R A Vasconcelos
, M V N de Souza
, S M S V Wardell
, J L Wardell
, J N Low
, C Glidewell

School of Chemistry

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

Abstract

Molecules of methyl 3,5-dinitrobenzoate, C8H6N2O6, are linked into C(7) chains by a single nearly linear C-H (...) O hydrogen bond, but there are no direction-specific interactions in the structure of isopropyl 3,5-dinitrobenzoate, C10H10N2O6. In benzyl 3,5-dinitrobenzoate, C14H10N2O6, the molecules are linked by four independent C-H (...) O hydrogen bonds into a complex three-dimensional framework structure, in which it is possible to identify simple substructures in the form of cyclic centrosymmetric dimers, double helices and sextuple helices.

Original language	English
Number of pages	4
Journal	Acta Crystallographica Section C-Crystal Structure Communications
Volume	62
DOIs	https://doi.org/10.1107/S0108270105038631
Publication status	Published - Jan 2006

Keywords

CRYSTAL-STRUCTURE

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Vasconcelos, T. R. A., de Souza, M. V. N., Wardell, S. M. S. V., Wardell, J. L., Low, J. N., & Glidewell, C. (2006). Simple chains in methyl 3,5-dinitrobenzoate, isolated molecules in isopropyl 3,5-dinitrobenzoate, and a three-dimensional framework containing double and sextuple helices in benzyl 3,5-dinitrobenzoate, all at 120 K. Acta Crystallographica Section C-Crystal Structure Communications, 62. https://doi.org/10.1107/S0108270105038631

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title = "Simple chains in methyl 3,5-dinitrobenzoate, isolated molecules in isopropyl 3,5-dinitrobenzoate, and a three-dimensional framework containing double and sextuple helices in benzyl 3,5-dinitrobenzoate, all at 120 K",

abstract = "Molecules of methyl 3,5-dinitrobenzoate, C8H6N2O6, are linked into C(7) chains by a single nearly linear C-H (...) O hydrogen bond, but there are no direction-specific interactions in the structure of isopropyl 3,5-dinitrobenzoate, C10H10N2O6. In benzyl 3,5-dinitrobenzoate, C14H10N2O6, the molecules are linked by four independent C-H (...) O hydrogen bonds into a complex three-dimensional framework structure, in which it is possible to identify simple substructures in the form of cyclic centrosymmetric dimers, double helices and sextuple helices.",

keywords = "CRYSTAL-STRUCTURE",

author = "Vasconcelos, \{T R A\} and \{de Souza\}, \{M V N\} and Wardell, \{S M S V\} and Wardell, \{J L\} and Low, \{J N\} and C Glidewell",

year = "2006",

month = jan,

doi = "10.1107/S0108270105038631",

language = "English",

volume = "62",

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

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Vasconcelos, TRA, de Souza, MVN, Wardell, SMSV, Wardell, JL, Low, JN & Glidewell, C 2006, 'Simple chains in methyl 3,5-dinitrobenzoate, isolated molecules in isopropyl 3,5-dinitrobenzoate, and a three-dimensional framework containing double and sextuple helices in benzyl 3,5-dinitrobenzoate, all at 120 K', Acta Crystallographica Section C-Crystal Structure Communications, vol. 62. https://doi.org/10.1107/S0108270105038631

Simple chains in methyl 3,5-dinitrobenzoate, isolated molecules in isopropyl 3,5-dinitrobenzoate, and a three-dimensional framework containing double and sextuple helices in benzyl 3,5-dinitrobenzoate, all at 120 K. / Vasconcelos, T R A ; de Souza, M V N ; Wardell, S M S V et al.
In: Acta Crystallographica Section C-Crystal Structure Communications, Vol. 62, 01.2006.

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

TY - JOUR

T1 - Simple chains in methyl 3,5-dinitrobenzoate, isolated molecules in isopropyl 3,5-dinitrobenzoate, and a three-dimensional framework containing double and sextuple helices in benzyl 3,5-dinitrobenzoate, all at 120 K

AU - Vasconcelos, T R A

AU - de Souza, M V N

AU - Wardell, S M S V

AU - Wardell, J L

AU - Low, J N

AU - Glidewell, C

PY - 2006/1

Y1 - 2006/1

N2 - Molecules of methyl 3,5-dinitrobenzoate, C8H6N2O6, are linked into C(7) chains by a single nearly linear C-H (...) O hydrogen bond, but there are no direction-specific interactions in the structure of isopropyl 3,5-dinitrobenzoate, C10H10N2O6. In benzyl 3,5-dinitrobenzoate, C14H10N2O6, the molecules are linked by four independent C-H (...) O hydrogen bonds into a complex three-dimensional framework structure, in which it is possible to identify simple substructures in the form of cyclic centrosymmetric dimers, double helices and sextuple helices.

AB - Molecules of methyl 3,5-dinitrobenzoate, C8H6N2O6, are linked into C(7) chains by a single nearly linear C-H (...) O hydrogen bond, but there are no direction-specific interactions in the structure of isopropyl 3,5-dinitrobenzoate, C10H10N2O6. In benzyl 3,5-dinitrobenzoate, C14H10N2O6, the molecules are linked by four independent C-H (...) O hydrogen bonds into a complex three-dimensional framework structure, in which it is possible to identify simple substructures in the form of cyclic centrosymmetric dimers, double helices and sextuple helices.

KW - CRYSTAL-STRUCTURE

U2 - 10.1107/S0108270105038631

DO - 10.1107/S0108270105038631

M3 - Article

SN - 1600-5759

SN - 0108-2701

VL - 62

JO - Acta Crystallographica Section C-Crystal Structure Communications

JF - Acta Crystallographica Section C-Crystal Structure Communications

ER -

Vasconcelos TRA, de Souza MVN, Wardell SMSV, Wardell JL, Low JN, Glidewell C. Simple chains in methyl 3,5-dinitrobenzoate, isolated molecules in isopropyl 3,5-dinitrobenzoate, and a three-dimensional framework containing double and sextuple helices in benzyl 3,5-dinitrobenzoate, all at 120 K. Acta Crystallographica Section C-Crystal Structure Communications. 2006 Jan;62. doi: 10.1107/S0108270105038631