In:
Acta Crystallographica Section E Crystallographic Communications, International Union of Crystallography (IUCr), Vol. 77, No. 4 ( 2021-04-01), p. 351-355
Abstract:
In the title compounds C 23 H 21 ClN 2 O 3 [ I , namely 1-(4-chlorophenyl)-4-(4-methylphenyl)-3,8-dioxo-1,2,5,6,7,8-hexahydroquine-3-carboxylic acid] and C 24 H 22 N 2 O 3 [ II , namely 4-(4-methoxyphenyl)-1-(4-methylphenyl)-2,5-dioxo-1,2,5,6,7,8-hexahydroquinoline-3-carbonitrile], each of the cyclohexene and dihydropyridine rings of the 1,2,5,6,7,8-hexahydroquinoline moieties adopts a twisted-boat conformation. The asymmetric units of both compounds I and II consist of two independent molecules ( A and B ). In II A , three carbon atoms of the cyclohexene ring are disordered over two sets of sites in a 0.670 (11):0.330 (11) occupancy ratio. In the crystal of I , molecules are linked through classical N—H...O hydrogen bonds, forming inversion dimers with an R 2 2 (8) ring motif and with their molecular planes parallel to the crystallographic (020) plane. Non-classical C—H...O hydrogen-bonding interactions connect the dimers, resulting in a three-dimensional network. In the crystal of II , molecules are linked by C—H...N, C—H...O and C—H...π interactions, forming a three-dimensional network.
Type of Medium:
Online Resource
ISSN:
2056-9890
DOI:
10.1107/S2056989021002140
DOI:
10.1107/S2056989021002140/yz2005sup1.cif
DOI:
10.1107/S2056989021002140/yz2005Isup2.hkl
DOI:
10.1107/S2056989021002140/yz2005IIsup3.hkl
DOI:
10.1107/S2056989021002140/yz2005Isup4.cml
DOI:
10.1107/S2056989021002140/yz2005IIsup5.cml
Language:
Unknown
Publisher:
International Union of Crystallography (IUCr)
Publication Date:
2021
detail.hit.zdb_id:
2843762-7
detail.hit.zdb_id:
2041947-8
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