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Crystal structure of 6-(4-chloro-phen-yl)-6a-nitro-6a,6b,8,9,10,12a-hexa-hydro-6,7-spiro[chromeno[3,4-]indolizine-12,11'-indeno-[1,2-]quinoxaline].

クロメノインドリジン-インデノキノキサリンスピロ化合物の結晶構造解析

other not specified not assessed

Abstract

This study reports the crystallographic characterization of a spiro-fused polycyclic compound bearing a 4-chlorophenyl substituent and a nitro group. Two crystallographically independent molecules occupy the asymmetric unit. The pyran ring adopts an envelope conformation while the pyridine ring assumes a chair conformation in both molecules. The pyrrolidine and cyclopentene ring conformations differ between the two molecules. Intramolecular C-H···N hydrogen bonds are present in both molecules. Disorder is observed in the nitro group oxygen atoms of both molecules, and the chlorine atom in one molecule is also disordered over two positions with defined occupancy ratios. In the crystal lattice, intermolecular C-H···O hydrogen bonds generate chains along the [010] direction, and C-H···π interactions further consolidate a three-dimensional supramolecular network.

Bibliographic

Authors
Syed Abuthahir S, NizamMohideen M, Viswanathan V, Velmurugan D, Nagasivarao J
Journal
Acta Crystallogr E Crystallogr Commun
Year
2019 (2019-02-01)
PMID
30800462
DOI
10.1107/S2056989019000975
PMC
PMC6362633

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:

Cite as: H2 Papers — PMID 30800462. https://h2-papers.org/en/papers/30800462
Source: PubMed PMID 30800462