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Crystal structure and Hirshfeld surface analysis of 2-(4-nitro­phen­yl)-2-oxoethyl picolinate

2-(4-Nitro­phen­yl)-2-oxoethyl picolinate, C(14)H(10)N(2)O(5), was synthesized under mild conditions. The chemical and mol­ecular structures were confirmed by single-crystal X-ray diffraction analysis. The mol­ecules are linked by inversion into centrosymmetric dimers via weak inter­molecular C—H⋯O...

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Autores principales: Sanjeeva Murthy, T. N., Chidan Kumar, C. S., Naveen, S., Veeraiah, M. K., Raghava Reddy, Kakarla, Warad, Ismail
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2019
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6829725/
https://www.ncbi.nlm.nih.gov/pubmed/31709105
http://dx.doi.org/10.1107/S2056989019014105
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author Sanjeeva Murthy, T. N.
Chidan Kumar, C. S.
Naveen, S.
Veeraiah, M. K.
Raghava Reddy, Kakarla
Warad, Ismail
author_facet Sanjeeva Murthy, T. N.
Chidan Kumar, C. S.
Naveen, S.
Veeraiah, M. K.
Raghava Reddy, Kakarla
Warad, Ismail
author_sort Sanjeeva Murthy, T. N.
collection PubMed
description 2-(4-Nitro­phen­yl)-2-oxoethyl picolinate, C(14)H(10)N(2)O(5), was synthesized under mild conditions. The chemical and mol­ecular structures were confirmed by single-crystal X-ray diffraction analysis. The mol­ecules are linked by inversion into centrosymmetric dimers via weak inter­molecular C—H⋯O inter­actions, forming R (2) (2)(10) ring motifs, and further strengthened by weak π–π inter­actions. Hirshfeld surface analyses, the d (norm) surfaces, electrostatic potential and two-dimensional fingerprint (FP) plots were used to verify the contributions of the different inter­molecular inter­actions within the supra­molecular structure. The shape-index surface shows that two sides of the mol­ecules are involved with the same contacts in neighbouring mol­ecules and curvedness plots show flat surface patches that are characteristic of planar stacking.
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spelling pubmed-68297252019-11-08 Crystal structure and Hirshfeld surface analysis of 2-(4-nitro­phen­yl)-2-oxoethyl picolinate Sanjeeva Murthy, T. N. Chidan Kumar, C. S. Naveen, S. Veeraiah, M. K. Raghava Reddy, Kakarla Warad, Ismail Acta Crystallogr E Crystallogr Commun Research Communications 2-(4-Nitro­phen­yl)-2-oxoethyl picolinate, C(14)H(10)N(2)O(5), was synthesized under mild conditions. The chemical and mol­ecular structures were confirmed by single-crystal X-ray diffraction analysis. The mol­ecules are linked by inversion into centrosymmetric dimers via weak inter­molecular C—H⋯O inter­actions, forming R (2) (2)(10) ring motifs, and further strengthened by weak π–π inter­actions. Hirshfeld surface analyses, the d (norm) surfaces, electrostatic potential and two-dimensional fingerprint (FP) plots were used to verify the contributions of the different inter­molecular inter­actions within the supra­molecular structure. The shape-index surface shows that two sides of the mol­ecules are involved with the same contacts in neighbouring mol­ecules and curvedness plots show flat surface patches that are characteristic of planar stacking. International Union of Crystallography 2019-10-29 /pmc/articles/PMC6829725/ /pubmed/31709105 http://dx.doi.org/10.1107/S2056989019014105 Text en © Sanjeeva Murthy et al. 2019 http://creativecommons.org/licenses/by/4.0/ This is an open-access article distributed under the terms of the Creative Commons Attribution (CC-BY) Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited.http://creativecommons.org/licenses/by/4.0/
spellingShingle Research Communications
Sanjeeva Murthy, T. N.
Chidan Kumar, C. S.
Naveen, S.
Veeraiah, M. K.
Raghava Reddy, Kakarla
Warad, Ismail
Crystal structure and Hirshfeld surface analysis of 2-(4-nitro­phen­yl)-2-oxoethyl picolinate
title Crystal structure and Hirshfeld surface analysis of 2-(4-nitro­phen­yl)-2-oxoethyl picolinate
title_full Crystal structure and Hirshfeld surface analysis of 2-(4-nitro­phen­yl)-2-oxoethyl picolinate
title_fullStr Crystal structure and Hirshfeld surface analysis of 2-(4-nitro­phen­yl)-2-oxoethyl picolinate
title_full_unstemmed Crystal structure and Hirshfeld surface analysis of 2-(4-nitro­phen­yl)-2-oxoethyl picolinate
title_short Crystal structure and Hirshfeld surface analysis of 2-(4-nitro­phen­yl)-2-oxoethyl picolinate
title_sort crystal structure and hirshfeld surface analysis of 2-(4-nitro­phen­yl)-2-oxoethyl picolinate
topic Research Communications
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6829725/
https://www.ncbi.nlm.nih.gov/pubmed/31709105
http://dx.doi.org/10.1107/S2056989019014105
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