# Crystal structure and Hirshfeld surface analysis of 4-{[(anthracen-9-yl)meth-yl]amino}-benzoic acid di-methyl-formamide monosolvate.
> アントラセン誘導体アミノ安息香酸のジメチルホルムアミド溶媒和物における結晶構造とHirshfeld表面解析


## Abstract

A compound prepared by condensation of an aromatic aldehyde with a secondary amine followed by reduction was crystallized from dimethylformamide to yield a monosolvate. The molecule adopts a non-planar conformation, with a dihedral angle of 81.36° between the aniline and methylanthracene mean planes, and a C-CH-NH-C backbone torsion angle of 175.9°. In the solid state, a three-dimensional supramolecular network is established through hydrogen bonds involving the carboxylic OH donor and the solvent oxygen acceptor, as well as between the amine group and the carboxylic oxygen, supplemented by C-H···π contacts. Hirshfeld surface analysis was applied to quantify the nature and extent of these intermolecular interactions.

## Bibliographic

- **Authors**: Ahmed A, Ahmad A, Ahmad M, Kalibabchuk VA
- **Journal**: Acta Crystallogr E Crystallogr Commun
- **Year**: 2020 (2020-05-01)
- **PMID**: [32431941](https://pubmed.ncbi.nlm.nih.gov/32431941/)
- **DOI**: [10.1107/S2056989020005393](https://doi.org/10.1107/S2056989020005393)
- **PMC**: [PMC7199275](https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7199275/)
- **Study type**: other
- **Delivery route**: not specified
- **Effect reported**: not assessed

## Delivery context

The delivery route is not clearly identifiable from this paper. For hydrogen intake, inhalation is the most efficient route; inhalation, however, carries explosion risk (empirical LFL of 10%; high-concentration devices are not recommended).

## Safety notes

The delivery route is not clearly identifiable from this paper. For hydrogen intake, inhalation is the most efficient route; inhalation, however, carries explosion risk (empirical LFL of 10%; high-concentration devices are not recommended).

See also:
- [Inhalation concentration and LFL / UFL](https://h2-papers.org/en/safety-notes/inhalation-concentration)
- [Consumer Affairs Agency accident cases](https://h2-papers.org/en/safety-notes/accident-cases)

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> **Cite as**: H2 Papers — PMID 32431941. https://h2-papers.org/en/papers/32431941
> **Source**: PubMed PMID [32431941](https://pubmed.ncbi.nlm.nih.gov/32431941/)