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ABSTRACT: In the title compound, CHNO·4HO (systematic name: ethyl 3-{[2-({4-[()-amino-(hexyl-oxycarbonyl-imino)-meth-yl]anilino}meth-yl)-1-meth-yl-benzimidazole-5-carbon-yl]pyridin-2-yl-amino}-propano-ate tetra-hydrate), the benzene and pyridine rings form dihedral angles of 5.4 (1) and 43.8 (1)°, respectively, with the benzimidazole mean plane. The terminal butyl group is disordered over two conformations in a 0.756 (10):0.244 (10) ratio. There is an intramolecular N-H⋯O hydrogen bond present. In the crystal, the water mol-ecules are involved in the formation of O-H⋯O, O-H⋯N and N-H⋯O hydrogen bonds, which link the components into layers parallel to the plane.
Acta Crystallographica Section E Structure Reports Online 12/2012; 68(Pt 12):o3385. · 0.35 Impact Factor
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ABSTRACT: In the title compound, C(7)H(8)N(2)O(5)S·C(2)H(6)O, the dihedral angle between the aromatic ring and the nitro group is 8.78 (9)° and the S atom is displaced by 0.226 (3) Å from the plane of the aromatic ring. In the crystal, the ethanol mol-ecule is involved in hydrogen bonding to two separate sulfonamide mol-ecules, as a donor in an O-H⋯O inter-action and as an acceptor in an N-H⋯O inter-action. Weak C-H⋯O hydrogen bonding is also present.
Acta Crystallographica Section E Structure Reports Online 06/2011; 67(Pt 6):o1383. · 0.35 Impact Factor
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ABSTRACT: In the title compound, C(10)H(9)FN(2)O(4), the dihedral angle between the benzene ring and the nitro group plane is 11.29 (3)°. The morpholinone ring adopts a twist-chair conformation. In the crystal, mol-ecules are linked by inter-molecular C-H⋯O hydrogen bonds into a chain along the a-axis direction.
Acta Crystallographica Section E Structure Reports Online 06/2011; 67(Pt 6):o1549. · 0.35 Impact Factor
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ABSTRACT: In the title mol-ecule, C(21)H(14)ClFIN(3)O, the bicyclic ring system has a twisted conformation; the two fused rings form a dihedral angle of 4.5 (1)°. The dihedral angles between the fused ring system and the benzene rings are 27.3 (6) and 5.3 (5)° while the dihedral angle between the benzene rings is 22.0 (5)°. In the crystal structure, weak inter-molecular N-H⋯N hydrogen bonds link the mol-ecules into chains propagating in [100]. A short inter-molecular distance of 3.806 (3) Å between the centroids of the fluorobenzene and iodobenzene rings suggests the existence of π-π stacking inter-actions.
Acta Crystallographica Section E Structure Reports Online 01/2010; 66(Pt 7):o1810. · 0.35 Impact Factor
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ABSTRACT: In the title compound, C(11)H(19)NO(5), the five-membered pyrrolidine ring adopts an envelope conformation. The dihedral angles between the carboxyl group plane, the pyrrolidine ring and the meth-oxy group are 59.50 (3) and 62.02 (1)°, respectively. In the crystal, inter-molecular O-H⋯O hydrogen bonds link the mol-ecules into chains along [100]. The absolute configuration is assigned in accord with that of (2R,4R)-1-(tert-but-oxy-carbon-yl)-4-hy-droxy-pyrrolidine-2-carb-oxy-lic acid, which was the starting material in the synthesis.
Acta Crystallographica Section E Structure Reports Online 01/2010; 66(Pt 12):o3258. · 0.35 Impact Factor
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ABSTRACT: In the title compound, C(31)H(32)BrN(3)O(3), the morpholine ring adopts a chair conformation, and the planar quinoline system is twisted with respect to the phenyl rings, with dihedral angles of 17.6 (4) and 75.1 (3)°. Intramolecular C-H⋯O and C-H⋯N hydrogen bonds are present. The crystal packing is stabilized by weak C-H⋯O hydrogen bonding and C-H⋯π interactions.
Acta Crystallographica Section E Structure Reports Online 01/2009; 65(Pt 8):o1901. · 0.35 Impact Factor
