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Crystal structure of 2-cyano-N′-(cyclohexylidene)acetohydrazide
In the title compound, C(9)H(13)N(3)O, the cyclohexylidene ring adopts a chair conformation and the bond-angle sum at the C atom linked to the N atom is 359.6°. The cyanoacetohydrazide grouping is close to planar (r.m.s. deviation for the non-H atoms = 0.031 Å) and subtends a dihedral angle of 64...
Autores principales: | , , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2014
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4186197/ https://www.ncbi.nlm.nih.gov/pubmed/25309235 http://dx.doi.org/10.1107/S1600536814009350 |
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author | Harrison, William T. A. Al-Sakka, Ola K. Fleita, Daisy H. Saleh, Amina Salem, Sara |
author_facet | Harrison, William T. A. Al-Sakka, Ola K. Fleita, Daisy H. Saleh, Amina Salem, Sara |
author_sort | Harrison, William T. A. |
collection | PubMed |
description | In the title compound, C(9)H(13)N(3)O, the cyclohexylidene ring adopts a chair conformation and the bond-angle sum at the C atom linked to the N atom is 359.6°. The cyanoacetohydrazide grouping is close to planar (r.m.s. deviation for the non-H atoms = 0.031 Å) and subtends a dihedral angle of 64.08 (4)° with the four C atoms forming the seat of the chair. The C=O and N—H groups are in a syn conformation (O—C—N—H = −5°). In the crystal, inversion dimers linked by pairs of N—H⋯O hydrogen bonds generate R (2) (2)(8) loops; this dimer linkage is reinforced by a pair of C—H⋯O interactions, which generate R (2) (2)(14) loops. The dimers are linked by C—H⋯N(c) (c = cyanide) interactions into [100] ladders, which feature C(4) chains and R (4) (4)(20) loops. |
format | Online Article Text |
id | pubmed-4186197 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2014 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-41861972014-10-12 Crystal structure of 2-cyano-N′-(cyclohexylidene)acetohydrazide Harrison, William T. A. Al-Sakka, Ola K. Fleita, Daisy H. Saleh, Amina Salem, Sara Acta Crystallogr Sect E Struct Rep Online Data Reports In the title compound, C(9)H(13)N(3)O, the cyclohexylidene ring adopts a chair conformation and the bond-angle sum at the C atom linked to the N atom is 359.6°. The cyanoacetohydrazide grouping is close to planar (r.m.s. deviation for the non-H atoms = 0.031 Å) and subtends a dihedral angle of 64.08 (4)° with the four C atoms forming the seat of the chair. The C=O and N—H groups are in a syn conformation (O—C—N—H = −5°). In the crystal, inversion dimers linked by pairs of N—H⋯O hydrogen bonds generate R (2) (2)(8) loops; this dimer linkage is reinforced by a pair of C—H⋯O interactions, which generate R (2) (2)(14) loops. The dimers are linked by C—H⋯N(c) (c = cyanide) interactions into [100] ladders, which feature C(4) chains and R (4) (4)(20) loops. International Union of Crystallography 2014-08-01 /pmc/articles/PMC4186197/ /pubmed/25309235 http://dx.doi.org/10.1107/S1600536814009350 Text en © Harrison et al. 2014 http://creativecommons.org/licenses/by/2.0/uk/ This is an open-access article distributed under the terms of the Creative Commons Attribution Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited. |
spellingShingle | Data Reports Harrison, William T. A. Al-Sakka, Ola K. Fleita, Daisy H. Saleh, Amina Salem, Sara Crystal structure of 2-cyano-N′-(cyclohexylidene)acetohydrazide |
title | Crystal structure of 2-cyano-N′-(cyclohexylidene)acetohydrazide |
title_full | Crystal structure of 2-cyano-N′-(cyclohexylidene)acetohydrazide |
title_fullStr | Crystal structure of 2-cyano-N′-(cyclohexylidene)acetohydrazide |
title_full_unstemmed | Crystal structure of 2-cyano-N′-(cyclohexylidene)acetohydrazide |
title_short | Crystal structure of 2-cyano-N′-(cyclohexylidene)acetohydrazide |
title_sort | crystal structure of 2-cyano-n′-(cyclohexylidene)acetohydrazide |
topic | Data Reports |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4186197/ https://www.ncbi.nlm.nih.gov/pubmed/25309235 http://dx.doi.org/10.1107/S1600536814009350 |
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