# (2S,3S)-3-(4-Chloro-phen-yl)-8-methyl-tropane-2-carboxylic acid.
> トロパン環を有するコカイン誘導体の結晶構造解析


## Abstract

This study reports the crystal structure of (2S,3S)-3-(4-chlorophenyl)-8-methyl-tropane-2-carboxylic acid (molecular formula C15H18ClNO2). The internal torsion angles within the tropane ring were found to be comparable to those observed in previously reported crystal structures of cocaine and related derivatives. An intramolecular hydrogen bond was identified between the nitrogen atom of the tropane ring and the oxygen atom of the carboxyl group. Additionally, numerous weak C-H···O interactions between molecules in the ab plane contribute to the formation of a two-dimensional supramolecular network, further stabilizing the overall crystal structure.

### Mechanism

Intramolecular hydrogen bonding between the tropane ring nitrogen and carboxyl oxygen, combined with intermolecular C-H···O interactions in the ab plane, stabilizes the crystal lattice through a two-dimensional supramolecular network.

## Bibliographic

- **Authors**: Chen Z, Wang SP, Li XM, Tang J, Lin JG
- **Journal**: Acta Crystallogr Sect E Struct Rep Online
- **Year**: 2008 (2008-08-09)
- **PMID**: [21201715](https://pubmed.ncbi.nlm.nih.gov/21201715/)
- **DOI**: [10.1107/S1600536808025002](https://doi.org/10.1107/S1600536808025002)
- **PMC**: [PMC2960499](https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2960499/)
- **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 21201715. https://h2-papers.org/en/papers/21201715
> **Source**: PubMed PMID [21201715](https://pubmed.ncbi.nlm.nih.gov/21201715/)