Hydrogen-bonding landscape of the carbamoylcyanonitrosomethanide anion in the crystal structure of its ammonium salt

The structure of the title salt, ammonium carbamoylcyanonitrosomethanide, NH4+·C3H2N3O2−, features the co-existence of different hydrogen-bonding patterns, which are specific to each of the three functional groups (nitroso, carbamoyl and cyano) of the methanide anion. The nitroso O-atoms accept as m...

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Autores principales:	Kostiantyn V. Domasevitch, Ganna A. Senchyk, Andrey B. Lysenko, Eduard B. Rusanov
Formato:	article
Lenguaje:	EN
Publicado:	International Union of Crystallography 2021
Materias:	crystal structure carbamoylcyanonitrosomethanide supramolecular synthon hydrogen bonding Chemistry QD1-999
Acceso en línea:	https://doaj.org/article/140ca9a30e37412c84616e04f5be0ff8
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id	oai:doaj.org-article:140ca9a30e37412c84616e04f5be0ff8
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spelling	oai:doaj.org-article:140ca9a30e37412c84616e04f5be0ff82021-11-12T11:16:09ZHydrogen-bonding landscape of the carbamoylcyanonitrosomethanide anion in the crystal structure of its ammonium salt2056-989010.1107/S2056989021010239https://doaj.org/article/140ca9a30e37412c84616e04f5be0ff82021-11-01T00:00:00Zhttp://scripts.iucr.org/cgi-bin/paper?S2056989021010239https://doaj.org/toc/2056-9890The structure of the title salt, ammonium carbamoylcyanonitrosomethanide, NH4+·C3H2N3O2−, features the co-existence of different hydrogen-bonding patterns, which are specific to each of the three functional groups (nitroso, carbamoyl and cyano) of the methanide anion. The nitroso O-atoms accept as many as three N—H...O bonds from the ammonium cations [N...O = 2.688 (3)–3.000 (3) Å] to form chains of fused rhombs [(NH4)(O)2]. The most prominent bonds of the carbamoyl groups are mutual and they yield 21 helices [N...O = 2.903 (2) Å], whereas the cyano N-atoms accept hydrogen bonds from sterically less accessible carbamoyl H-atoms [N...N = 3.004 (3) Å]. Two weaker NH4+...O=C bonds [N...O = 3.021 (2), 3.017 (2) Å] complete the hydrogen-bonded environment of the carbamoyl groups. A Hirshfeld surface analysis indicates that the most important interactions are overwhelmingly O...H/H...O and N...H/H...N, in total accounting for 64.1% of the contacts for the individual anions. The relatively simple scheme of these interactions allows the delineation of the supramolecular synthons, which may be applicable to crystal engineering of hydrogen-bonded solids containing polyfunctional methanide anions.Kostiantyn V. DomasevitchGanna A. SenchykAndrey B. LysenkoEduard B. RusanovInternational Union of Crystallographyarticlecrystal structurecarbamoylcyanonitrosomethanidesupramolecular synthonhydrogen bondingChemistryQD1-999ENActa Crystallographica Section E: Crystallographic Communications, Vol 77, Iss 11, Pp 1103-1108 (2021)
institution	DOAJ
collection	DOAJ
language	EN
topic	crystal structure carbamoylcyanonitrosomethanide supramolecular synthon hydrogen bonding Chemistry QD1-999
spellingShingle	crystal structure carbamoylcyanonitrosomethanide supramolecular synthon hydrogen bonding Chemistry QD1-999 Kostiantyn V. Domasevitch Ganna A. Senchyk Andrey B. Lysenko Eduard B. Rusanov Hydrogen-bonding landscape of the carbamoylcyanonitrosomethanide anion in the crystal structure of its ammonium salt
description	The structure of the title salt, ammonium carbamoylcyanonitrosomethanide, NH4+·C3H2N3O2−, features the co-existence of different hydrogen-bonding patterns, which are specific to each of the three functional groups (nitroso, carbamoyl and cyano) of the methanide anion. The nitroso O-atoms accept as many as three N—H...O bonds from the ammonium cations [N...O = 2.688 (3)–3.000 (3) Å] to form chains of fused rhombs [(NH4)(O)2]. The most prominent bonds of the carbamoyl groups are mutual and they yield 21 helices [N...O = 2.903 (2) Å], whereas the cyano N-atoms accept hydrogen bonds from sterically less accessible carbamoyl H-atoms [N...N = 3.004 (3) Å]. Two weaker NH4+...O=C bonds [N...O = 3.021 (2), 3.017 (2) Å] complete the hydrogen-bonded environment of the carbamoyl groups. A Hirshfeld surface analysis indicates that the most important interactions are overwhelmingly O...H/H...O and N...H/H...N, in total accounting for 64.1% of the contacts for the individual anions. The relatively simple scheme of these interactions allows the delineation of the supramolecular synthons, which may be applicable to crystal engineering of hydrogen-bonded solids containing polyfunctional methanide anions.
format	article
author	Kostiantyn V. Domasevitch Ganna A. Senchyk Andrey B. Lysenko Eduard B. Rusanov
author_facet	Kostiantyn V. Domasevitch Ganna A. Senchyk Andrey B. Lysenko Eduard B. Rusanov
author_sort	Kostiantyn V. Domasevitch
title	Hydrogen-bonding landscape of the carbamoylcyanonitrosomethanide anion in the crystal structure of its ammonium salt
title_short	Hydrogen-bonding landscape of the carbamoylcyanonitrosomethanide anion in the crystal structure of its ammonium salt
title_full	Hydrogen-bonding landscape of the carbamoylcyanonitrosomethanide anion in the crystal structure of its ammonium salt
title_fullStr	Hydrogen-bonding landscape of the carbamoylcyanonitrosomethanide anion in the crystal structure of its ammonium salt
title_full_unstemmed	Hydrogen-bonding landscape of the carbamoylcyanonitrosomethanide anion in the crystal structure of its ammonium salt
title_sort	hydrogen-bonding landscape of the carbamoylcyanonitrosomethanide anion in the crystal structure of its ammonium salt
publisher	International Union of Crystallography
publishDate	2021
url	https://doaj.org/article/140ca9a30e37412c84616e04f5be0ff8
work_keys_str_mv	AT kostiantynvdomasevitch hydrogenbondinglandscapeofthecarbamoylcyanonitrosomethanideanioninthecrystalstructureofitsammoniumsalt AT gannaasenchyk hydrogenbondinglandscapeofthecarbamoylcyanonitrosomethanideanioninthecrystalstructureofitsammoniumsalt AT andreyblysenko hydrogenbondinglandscapeofthecarbamoylcyanonitrosomethanideanioninthecrystalstructureofitsammoniumsalt AT eduardbrusanov hydrogenbondinglandscapeofthecarbamoylcyanonitrosomethanideanioninthecrystalstructureofitsammoniumsalt
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Hydrogen-bonding landscape of the carbamoylcyanonitrosomethanide anion in the crystal structure of its ammonium salt

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