A three-dimensional framework of pi-stacked hydrogen-bonded chains in benzyl 4-chloro-3-nitro-benzoate, and chains of hydrogen-bonded rings in benzyl 4-nitrobenzoate, redetermined at 120 K

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

doi:10.1107/S0108270106008535

A three-dimensional framework of pi-stacked hydrogen-bonded chains in benzyl 4-chloro-3-nitro-benzoate, and chains of hydrogen-bonded rings in benzyl 4-nitrobenzoate, redetermined at 120 K

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

School of Chemistry

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Abstract

Benzyl 4-chloro-3-nitro-benzoate, C14H10ClNO4, crystallizes with Z' = 2 in the space group P (1) over bar. The molecules are linked by three independent C-H center dot center dot center dot O hydrogen bonds into chains of edge-fused R-4(4)(26) and R-4(4)(34) rings, and these chains are linked into a three-dimensional framework structure by aromatic pi-pi stacking inter-actions. In benzyl 4-nitro-benzoate, C14H11NO4, the molecules are linked by two independent C-H center dot center dot center dot O hydrogen bonds into chains containing two types of R-2(2)(10) ring.

Original language	English
Number of pages	4
Journal	Acta Crystallographica Section C-Crystal Structure Communications
Volume	62
DOIs	https://doi.org/10.1107/S0108270106008535
Publication status	Published - May 2006

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de Souza, M. V. N., Vasconcelos, T. R. A., Wardell, S. M. S. V., Wardell, J. L., Low, J. N., & Glidewell, C. (2006). A three-dimensional framework of pi-stacked hydrogen-bonded chains in benzyl 4-chloro-3-nitro-benzoate, and chains of hydrogen-bonded rings in benzyl 4-nitrobenzoate, redetermined at 120 K. Acta Crystallographica Section C-Crystal Structure Communications, 62. https://doi.org/10.1107/S0108270106008535

@article{f372e159ee1e4547810f7701d9f3893b,

title = "A three-dimensional framework of pi-stacked hydrogen-bonded chains in benzyl 4-chloro-3-nitro-benzoate, and chains of hydrogen-bonded rings in benzyl 4-nitrobenzoate, redetermined at 120 K",

abstract = "Benzyl 4-chloro-3-nitro-benzoate, C14H10ClNO4, crystallizes with Z' = 2 in the space group P (1) over bar. The molecules are linked by three independent C-H center dot center dot center dot O hydrogen bonds into chains of edge-fused R-4(4)(26) and R-4(4)(34) rings, and these chains are linked into a three-dimensional framework structure by aromatic pi-pi stacking inter-actions. In benzyl 4-nitro-benzoate, C14H11NO4, the molecules are linked by two independent C-H center dot center dot center dot O hydrogen bonds into chains containing two types of R-2(2)(10) ring.",

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

year = "2006",

month = may,

doi = "10.1107/S0108270106008535",

language = "English",

volume = "62",

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

issn = "1600-5759",

publisher = "International Union of Crystallography",

}

de Souza, MVN, Vasconcelos, TRA, Wardell, SMSV, Wardell, JL, Low, JN & Glidewell, C 2006, 'A three-dimensional framework of pi-stacked hydrogen-bonded chains in benzyl 4-chloro-3-nitro-benzoate, and chains of hydrogen-bonded rings in benzyl 4-nitrobenzoate, redetermined at 120 K', Acta Crystallographica Section C-Crystal Structure Communications, vol. 62. https://doi.org/10.1107/S0108270106008535

A three-dimensional framework of pi-stacked hydrogen-bonded chains in benzyl 4-chloro-3-nitro-benzoate, and chains of hydrogen-bonded rings in benzyl 4-nitrobenzoate, redetermined at 120 K. / de Souza, M V N ; Vasconcelos, T R A ; Wardell, S M S V et al.
In: Acta Crystallographica Section C-Crystal Structure Communications, Vol. 62, 05.2006.

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

TY - JOUR

T1 - A three-dimensional framework of pi-stacked hydrogen-bonded chains in benzyl 4-chloro-3-nitro-benzoate, and chains of hydrogen-bonded rings in benzyl 4-nitrobenzoate, redetermined at 120 K

AU - de Souza, M V N

AU - Vasconcelos, T R A

AU - Wardell, S M S V

AU - Wardell, J L

AU - Low, J N

AU - Glidewell, C

PY - 2006/5

Y1 - 2006/5

N2 - Benzyl 4-chloro-3-nitro-benzoate, C14H10ClNO4, crystallizes with Z' = 2 in the space group P (1) over bar. The molecules are linked by three independent C-H center dot center dot center dot O hydrogen bonds into chains of edge-fused R-4(4)(26) and R-4(4)(34) rings, and these chains are linked into a three-dimensional framework structure by aromatic pi-pi stacking inter-actions. In benzyl 4-nitro-benzoate, C14H11NO4, the molecules are linked by two independent C-H center dot center dot center dot O hydrogen bonds into chains containing two types of R-2(2)(10) ring.

AB - Benzyl 4-chloro-3-nitro-benzoate, C14H10ClNO4, crystallizes with Z' = 2 in the space group P (1) over bar. The molecules are linked by three independent C-H center dot center dot center dot O hydrogen bonds into chains of edge-fused R-4(4)(26) and R-4(4)(34) rings, and these chains are linked into a three-dimensional framework structure by aromatic pi-pi stacking inter-actions. In benzyl 4-nitro-benzoate, C14H11NO4, the molecules are linked by two independent C-H center dot center dot center dot O hydrogen bonds into chains containing two types of R-2(2)(10) ring.

U2 - 10.1107/S0108270106008535

DO - 10.1107/S0108270106008535

M3 - Article

SN - 1600-5759

VL - 62

JO - Acta Crystallographica Section C-Crystal Structure Communications

JF - Acta Crystallographica Section C-Crystal Structure Communications

ER -

de Souza MVN, Vasconcelos TRA, Wardell SMSV, Wardell JL, Low JN, Glidewell C. A three-dimensional framework of pi-stacked hydrogen-bonded chains in benzyl 4-chloro-3-nitro-benzoate, and chains of hydrogen-bonded rings in benzyl 4-nitrobenzoate, redetermined at 120 K. Acta Crystallographica Section C-Crystal Structure Communications. 2006 May;62. doi: 10.1107/S0108270106008535

A three-dimensional framework of pi-stacked hydrogen-bonded chains in benzyl 4-chloro-3-nitro-benzoate, and chains of hydrogen-bonded rings in benzyl 4-nitrobenzoate, redetermined at 120 K

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