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ABSTRACT: (2RS,4SR)-7-Bromo-2-(2-methylphenyl)-2,3,4,5-tetrahydro-1H-naphtho[1,2-b]azepin-4-ol, C21H20BrNO, (I), and (2RS,4SR)-2-(3-methylthiophen-2-yl)-2,3,4,5-tetrahydro-1H-naphtho[1,2-b]azepin-4-ol, C19H19NOS, (II), both crystallize with Z' = 2 in the space groups P21/c and Cc, respectively; compound (II) crystallizes as a nonmerohedral twin, with twin fractions 0.183 (2) and 0.817 (2). The molecules of (I) are linked by O-H...O and O-H...N hydrogen bonds to form a cyclic centrosymmetric R4(4)(16) tetramer. The molecules of (II) are linked by O-H...O hydrogen bonds to form a C2(2)(4) chain and these chains are weakly linked by a single C-H...π(thienyl) interaction to form a three-dimensional array. Comparisons are made with some related compounds.
Acta crystallographica. Section C, Crystal structure communications 04/2013; 69(Pt 4):448-52. · 0.78 Impact Factor
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ABSTRACT: (2R,4S)-2-(3-Methylthiophen-2-yl)-2,3,4,5-tetrahydro-1,4-epoxynaphtho[1,2-b]azepine, CHNOS, (I), crystallizes with a single enantiomer in each crystal, whereas its geometrical isomer (2RS,4SR)-2-(5-methylthiophen-2-yl)-2,3,4,5-tetrahydro-1,4-epoxy-naphtho[1,2-b]azepine, (II), and (2RS,4SR)-2-(5-bromothiophen-2-yl)-2,3,4,5-tetrahydro-1,4-epoxynaphtho[1,2-b]azepine, CHBrNOS, (III), both crystallize as racemic mixtures. A combination of one C-H...O hydrogen bond and two C-H...π(arene) hydrogen bonds links the molecules of (I) into a three-dimensional framework; the molecules of (II) are linked into a C(4)C(4)[R(7)] chain of rings by a combination of C-H...N and C-H...O hydrogen bonds; and in (III), where Z' = 2, a combination of four C-H...π(arene) hydrogen bonds and two C-H...π(thienyl) hydrogen bonds links the molecules into complex sheets. Comparisons are made with the assembly patterns in some aryl-substituted 1,4-epoxynaphtho[1,2-b]azepines.
Acta crystallographica. Section C, Crystal structure communications 03/2013; 69(Pt 3):307-12. · 0.78 Impact Factor
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ABSTRACT: In both 2-amino-6-methoxy-4-(4-methylanilino)-5-nitrosopyrimidine, C(12)H(13)N(5)O(2), (I), and ethyl N-[4-(1-adamantylamino)-2-amino-5-nitrosopyrimidin-6-yl]-3-aminopropionate, C(19)H(28)N(6)O(3), (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-H···O hydrogen bond. The molecules of (I) are linked into a chain of rings by a combination of N-H···O and C-H···O hydrogen bonds, while the molecules of (II) are linked by a two-centre N-H···N hydrogen bond and a three-centre N-H···(N,O) hydrogen bond to form sheets containing four distinct types of ring.
Acta crystallographica. Section C, Crystal structure communications 05/2012; 68(Pt 5):o199-203. · 0.78 Impact Factor
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ABSTRACT: The molecules of the title compound, C(20)H(15)BrClNO, are linked into chains by a C-H...π(arene) hydrogen bond, in which the acceptor is the brominated ring of the naphthalene unit, and these chains are linked by an aromatic π-π stacking interaction, again involving the naphthalene unit, into a sheet structure.
Acta crystallographica. Section C, Crystal structure communications 03/2012; 68(Pt 3):o123-5. · 0.78 Impact Factor
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ABSTRACT: (2R,4S)-7-Bromo-2-phenyl-2,3,4,5-tetrahydro-1,4-epoxynaphtho[1,2-b]azepine, C(20)H(16)BrNO, (I), exhibits evidence of a modest degree (ca 10%) of inversion twinning, while both (2RS,4SR)-7-bromo-2-(4-chlorophenyl)-2,3,4,5-tetrahydro-1,4-epoxynaphtho[1,2-b]azepine, C(20)H(15)BrClNO, (II), and (2RS,4SR)-2-(4-fluorophenyl)-2,3,4,5-tetrahydro-1,4-epoxynaphtho[1,2-b]azepine, C(20)H(16)FNO, (III), crystallize as genuine racemic mixtures. The molecules of (I) are linked into sheets by a combination of one C-H...O hydrogen bond and two C-H...pi(arene) hydrogen bonds, while those of (II) are linked into sheets of pi-stacked hydrogen-bonded chains. A combination of one C-H...O hydrogen bond and four independent C-H...pi(arene) hydrogen bonds links the molecules of (III) into a three-dimensional framework. The significance of this study lies in its finding, via comparison with the structures of some closely-related epoxybenzazepine analogues, of significant changes in crystal structures consequent upon small changes in the peripheral substituents.
Acta crystallographica. Section C, Crystal structure communications 05/2009; 65(Pt 4):o140-5. · 0.78 Impact Factor
