# Quinoline-2-sulfonamide.
> キノリン-2-スルホンアミドの結晶構造と分子間水素結合解析


## Abstract

The crystal structure of quinoline-2-sulfonamide (C9H8N2O2S) was characterized, revealing that the sulfamoyl NH2 group participates in intermolecular hydrogen bonding with both the sulfonamide oxygen and the quinoline nitrogen atoms. Within the crystal lattice, molecules associate into dimers through pairs of N-H···N hydrogen bonds forming an R2(2)(10) motif, which are subsequently connected into chains running parallel to the b axis via N-H···O hydrogen bonds generating a C(4) motif. Additional stabilization arises from C-H···O contacts. The crystal was identified as a non-merohedral twin with a domain ratio of 0.938(2):0.062(2). Density functional theory calculations at the B3LYP/6-31G(d,p) level yielded interaction energies of approximately 4.4 kcal/mol per bridge for the C(4) chain and approximately 5.9 kcal/mol per bridge for the R2(2)(10) motif.

### Mechanism

The sulfamoyl NH2 group forms intermolecular hydrogen bonds with sulfonamide oxygen and quinoline nitrogen atoms, driving assembly of dimeric R2(2)(10) motifs and C(4) chain supramolecular architectures stabilized by C-H···O interactions.

## Bibliographic

- **Authors**: Marciniec K, Maślankiewicz A, Kusz J, Nowak M
- **Journal**: Acta Crystallogr Sect E Struct Rep Online
- **Year**: 2013
- **PMID**: [24109421](https://pubmed.ncbi.nlm.nih.gov/24109421/)
- **DOI**: [10.1107/S160053681302062X](https://doi.org/10.1107/S160053681302062X)
- **PMC**: [PMC3793834](https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3793834/)
- **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 24109421. https://h2-papers.org/en/papers/24109421
> **Source**: PubMed PMID [24109421](https://pubmed.ncbi.nlm.nih.gov/24109421/)