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Crystal structure and Hirshfeld surface analysis of N,N′-bis(2-nitrophenyl)glutaramide

Salian, Akshatha R. ; Foro, Sabine ; Kumar, S. Madan ; Thimme Gowda, B. (2018)
Crystal structure and Hirshfeld surface analysis of N,N′-bis(2-nitrophenyl)glutaramide.
In: Acta Crystallographica Section E Crystallographic Communications, 74 (10)
doi: 10.1107/S2056989018013075
Artikel, Bibliographie

Kurzbeschreibung (Abstract)

The asymmetric unit of the title compound, C17H16N4O6, contains two independent molecules (A and B). The two benzene rings are twisted by an angle of 79.14 (7)degrees in molecule A, whereas, in molecule B, they are inclined by 19.02 (14)degrees. The conformations of the molecules are stabilized by intramolecular N-H center dot center dot center dot O hydrogen bonds between the amide nitrogen atom and the O atom of the ortho-nitro substituent on the phenyl ring, enclosing an S(6) ring motif. In the amide and aliphatic segments, all the N-H, C=O and C-H bonds are anti to each other. In the crystal, the A and B molecules are linked by intermolecular amide-to-amide N-H center dot center dot center dot O hydrogen bonds, resulting in chains running along the b-axis direction. The intermolecular interactions were analysed using Hirshfeld surface analysis. The two-dimensional fingerprint plots of the intermolecular contacts indicate that the major contributions are from H center dot center dot center dot H and O center dot center dot center dot H interactions.

Typ des Eintrags: Artikel
Erschienen: 2018
Autor(en): Salian, Akshatha R. ; Foro, Sabine ; Kumar, S. Madan ; Thimme Gowda, B.
Art des Eintrags: Bibliographie
Titel: Crystal structure and Hirshfeld surface analysis of N,N′-bis(2-nitrophenyl)glutaramide
Sprache: Englisch
Publikationsjahr: Oktober 2018
Verlag: International Union of Crystallography
Titel der Zeitschrift, Zeitung oder Schriftenreihe: Acta Crystallographica Section E Crystallographic Communications
Jahrgang/Volume einer Zeitschrift: 74
(Heft-)Nummer: 10
DOI: 10.1107/S2056989018013075
URL / URN: https://doi.org/10.1107/S2056989018013075
Kurzbeschreibung (Abstract):

The asymmetric unit of the title compound, C17H16N4O6, contains two independent molecules (A and B). The two benzene rings are twisted by an angle of 79.14 (7)degrees in molecule A, whereas, in molecule B, they are inclined by 19.02 (14)degrees. The conformations of the molecules are stabilized by intramolecular N-H center dot center dot center dot O hydrogen bonds between the amide nitrogen atom and the O atom of the ortho-nitro substituent on the phenyl ring, enclosing an S(6) ring motif. In the amide and aliphatic segments, all the N-H, C=O and C-H bonds are anti to each other. In the crystal, the A and B molecules are linked by intermolecular amide-to-amide N-H center dot center dot center dot O hydrogen bonds, resulting in chains running along the b-axis direction. The intermolecular interactions were analysed using Hirshfeld surface analysis. The two-dimensional fingerprint plots of the intermolecular contacts indicate that the major contributions are from H center dot center dot center dot H and O center dot center dot center dot H interactions.

Freie Schlagworte: crystal structure, bis-amides, intermolecular hydrogen bonds, Hirshfeld surface analysis
Zusätzliche Informationen:

ARS thanks the Department of Science and Technology, Government of India, New Delhi, for a research fellowship under its DST-PURSE Program. BTG thanks the University Grants Commission, Government of India, New Delhi, for a special grant under a UGC-BSR one-time grant to faculty.

Fachbereich(e)/-gebiet(e): 11 Fachbereich Material- und Geowissenschaften
11 Fachbereich Material- und Geowissenschaften > Materialwissenschaft
11 Fachbereich Material- und Geowissenschaften > Materialwissenschaft > Fachgebiet Strukturforschung
Hinterlegungsdatum: 14 Sep 2020 05:44
Letzte Änderung: 14 Sep 2020 05:44
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