organic compounds
The molecules of the title compound, C20H15BrClNO, are linked into chains by a C-H(arene) hydrogen bond, in which the acceptor is the brominated ring of the naphthalene unit, and these chains are linked by an aromatic - stacking interaction, again involving the naphthalene unit, into a sheet structure.
organic compounds
The closely related compounds cis-(2RS,4SR)-2-(thiophen-2-yl)-2,3,4,5-tetrahydro-1H-1-benzazepin-4-ol, C14H15NOS, (I), and cis-(2RS,4SR)-2-(5-methylthiophen-2-yl)-2,3,4,5-tetrahydro-1H-1-benzazepin-4-ol, C15H17NOS, (II), both crystallize with Z' = 2 in the space group P. In (I), the thienyl substituent in one of the two independent molecules is disordered over two sets of atomic sites having occupancies of 0.856 (2) and 0.144 (2). In both compounds, the two independent hydroxy O atoms are both within 2.8 Å of the hydroxy O atoms of two neighbouring molecules, and all of the hydroxy H atoms are disordered, each over two sites. The resulting O-HO hydrogen bonds generate two similar but distinct C44(8) chains, depending upon which hydroxy H-atom sites are occupied or vacant, with full correlation of the hydroxy H-atom occupancies within each chain. Comparisons are made with the supramolecular assembly in some related compounds.
organic compounds
The structures are reported of nine closely related tetrahydro-1,4-epoxy-1-benzazepines carrying pendant heterocyclic substituents, namely: 2-exo-(5-nitrofuran-2-yl)-2,3,4,5-tetrahydro-1,4-epoxy-1H-1-benzazepine, C14H12N2O4, (I), 7-fluoro-2-exo-(1-methyl-1H-pyrrol-2-yl)-2,3,4,5-tetrahydro-1,4-epoxy-1H-1-benzazepine, C15H15FN2O, (II), 7-fluoro-2-exo-(5-methylfuran-2-yl)-2,3,4,5-tetrahydro-1,4-epoxy-1H-1-benzazepine, C15H14FNO2, (III), 7-fluoro-2-exo-(3-methylthiophen-2-yl)-2,3,4,5-tetrahydro-1,4-epoxy-1H-1-benzazepine, C15H14FNOS, (IV), 7-fluoro-2-exo-(5-methylthiophen-2-yl)-2,3,4,5-tetrahydro-1,4-epoxy-1H-1-benzazepine, C15H14FNOS, (V), 7-chloro-2-exo-(5-methylfuran-2-yl)-2,3,4,5-tetrahydro-1,4-epoxy-1H-1-benzazepine, C15H14ClNO2, (VI), 2-exo-(5-methylfuran-2-yl)-7-trifluoromethoxy-2,3,4,5-tetrahydro-1,4-epoxy-1H-1-benzazepine, C16H14F3NO3, (VII), 2-exo-(3-methylthiophen-2-yl)-7-trifluoromethoxy-2,3,4,5-tetrahydro-1,4-epoxy-1H-1-benzazepine, C16H14F3NO2S, (VIII), and 2-exo-(5-nitrofuran-2-yl)-7-trifluoromethoxy-2,3,4,5-tetrahydro-1,4-epoxy-1H-1-benzazepine, C15H11F3N2O5, (IX). All nine compounds crystallize in centrosymmetric space groups as racemic mixtures with configuration (2RS,4SR). There are no direction-specific interactions between the molecules in (V). The molecules in (III), (IV), (VI) and (VII) are linked into simple chains, by means of a single C-HO hydrogen bond in each of (III), (VI) and (VII), and by means of a single C-H(arene) hydrogen bond in (IV), while the molecules in (VIII) are linked into a chain of rings. In each of (I) and (II), a combination of one C-HO hydrogen bond and one C-H(arene) hydrogen bond links the molecules into sheets, albeit of completely different construction in the two compounds. In (IX), the sheet structure is built from a combination of four independent C-HO hydrogen bonds and one C-H(arene) hydrogen bond. Comparisons are made with some related compounds.
organic compounds
(2RS,4RS)-7-Fluoro-2-(2-phenylethyl)-2,3,4,5-tetrahydro-1H-1,4-epoxy-1-benzazepine, C18H18FNO, (I), and (2RS,4RS)-7-chloro-2-(2-phenylethyl)-2,3,4,5-tetrahydro-1H-1,4-epoxy-1-benzazepine, C18H18ClNO, (II), are isomorphous but not strictly isostructural, as the slight differences in the unit-cell dimensions and molecular conformations are sufficient to preclude, in the structure of (I), the direction-specific intermolecular interactions present in the structure of (II), where the molecules are linked into sheets by a combination of C-HN and C-H(arene) hydrogen bonds.
organic compounds
In both 2-amino-6-methoxy-4-(4-methylanilino)-5-nitrosopyrimidine, C12H13N5O2, (I), and ethyl N-[4-(1-adamantylamino)-2-amino-5-nitrosopyrimidin-6-yl]-3-aminopropionate, C19H28N6O3, (II), the nitrosopyrimidine unit is planar and the bond distances provide evidence for significant polarization of the electronic structures. In (II), the ethoxycarbonyl fragment of the molecule is disordered over two sets of sites with occupancies of 0.910 (4) and 0.090 (4). In the molecules of both compounds, there is an intramolecular N-HO hydrogen bond. The molecules of (I) are linked into a chain of rings by a combination of N-HO and C-HO hydrogen bonds, while the molecules of (II) are linked by a two-centre N-HN hydrogen bond and a three-centre N-H(N,O) hydrogen bond to form sheets containing four distinct types of ring.