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4-(Dimethylamino)benzohydrazide
The title compound, C(9)H(13)N(3)O, crystallizes in the monoclinic space group C2/c and all non-hydrogen atoms are within 0.1 Å of the molecular mean plane. In the crystal, the hydrogen-bonding pattern results in [001] chains built up from fused R (2) (2)(6) and R (2) (2)(10) rings; the former cons...
| Autores principales: | , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
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International Union of Crystallography
2020
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| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9462160/ https://www.ncbi.nlm.nih.gov/pubmed/36339022 http://dx.doi.org/10.1107/S2414314620013103 |
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| author | Kelley, Steven P. Mossine, Valeri V. Mawhinney, Thomas P. |
| author_facet | Kelley, Steven P. Mossine, Valeri V. Mawhinney, Thomas P. |
| author_sort | Kelley, Steven P. |
| collection | PubMed |
| description | The title compound, C(9)H(13)N(3)O, crystallizes in the monoclinic space group C2/c and all non-hydrogen atoms are within 0.1 Å of the molecular mean plane. In the crystal, the hydrogen-bonding pattern results in [001] chains built up from fused R (2) (2)(6) and R (2) (2)(10) rings; the former consists of N—H⋯N bonds and the latter N—H⋯O bonds. Electrostatic and dispersion forces are major contributors to the lattice energy, which was estimated by DFT calculations to be −215.7 kJ mol(−1). [Image: see text] |
| format | Online Article Text |
| id | pubmed-9462160 |
| institution | National Center for Biotechnology Information |
| language | English |
| publishDate | 2020 |
| publisher | International Union of Crystallography |
| record_format | MEDLINE/PubMed |
| spelling | pubmed-94621602022-11-04 4-(Dimethylamino)benzohydrazide Kelley, Steven P. Mossine, Valeri V. Mawhinney, Thomas P. IUCrdata Data Reports The title compound, C(9)H(13)N(3)O, crystallizes in the monoclinic space group C2/c and all non-hydrogen atoms are within 0.1 Å of the molecular mean plane. In the crystal, the hydrogen-bonding pattern results in [001] chains built up from fused R (2) (2)(6) and R (2) (2)(10) rings; the former consists of N—H⋯N bonds and the latter N—H⋯O bonds. Electrostatic and dispersion forces are major contributors to the lattice energy, which was estimated by DFT calculations to be −215.7 kJ mol(−1). [Image: see text] International Union of Crystallography 2020-10-09 /pmc/articles/PMC9462160/ /pubmed/36339022 http://dx.doi.org/10.1107/S2414314620013103 Text en © Kelley et al. 2020 https://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. |
| spellingShingle | Data Reports Kelley, Steven P. Mossine, Valeri V. Mawhinney, Thomas P. 4-(Dimethylamino)benzohydrazide |
| title | 4-(Dimethylamino)benzohydrazide |
| title_full | 4-(Dimethylamino)benzohydrazide |
| title_fullStr | 4-(Dimethylamino)benzohydrazide |
| title_full_unstemmed | 4-(Dimethylamino)benzohydrazide |
| title_short | 4-(Dimethylamino)benzohydrazide |
| title_sort | 4-(dimethylamino)benzohydrazide |
| topic | Data Reports |
| url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9462160/ https://www.ncbi.nlm.nih.gov/pubmed/36339022 http://dx.doi.org/10.1107/S2414314620013103 |
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