62 research outputs found

    5-Methyl-3-[1-(2-pyridylmeth­yl)-1H-benzimidazol-2-ylmeth­yl]isoxazole

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    The title compound, C18H16N4O, is built up from fused six- and five-membered rings linked to a five-membered isoxazole ring and to a six-membered pyridine ring through a CH2 group. The fused-ring system is essentially planar, with a maximum deviation of 0.019 (1) Å. It forms inter­planar angles of 70.03 (7)° with the isoxazole ring and 81.68 (7)° with the pyridine ring; the two latter rings are also planar, the maximum deviations from the mean planes being 0.0028 (15) and 0.0047 (12) Å, respectively. In the crystal, weak inter­molecular non-classical C—H⋯N hydrogen bonds link the mol­ecules, forming a zigzag-like chain parallel to the b axis. A weak intra­molecular C—H⋯N hydrogen bond may help to define the conformation of the mol­ecule

    6-Methyl-7,7,9-tripropargyl-7H-1,2,4-triazolo[4,3-b][1,2,4]triazepin-8(9H)-one

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    The title compound, C15H13N5O, features a triazolyl ring fused with a seven-membered triazepinyl ring; the latter ring adopts a boat conformation (with the propargyl-bearing C atom as the prow and the fused-ring C/N atoms as the stern)

    1,3-Dibenzyl-2-methyl­benzimidazolium chloride

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    The cation of the title salt, C22H21N2 +·Cl−, contains a planar benzimidazolium unit (r.m.s. deviation = 0.02 Å); the phenyl rings of the benzyl substituents form dihedral angles of 68.2 (1) and 79.7 (1)° with the plane of the benzimidazolium fragment

    1,3-Diallyl-2-methyl­benzimidazolium bromide dihydrate

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    The bonds in the five-membered ring of the title hydrated salt, C14H17N2 +·Br−·2H2O, are delocalized. The cation lies on a special position of m site symmetry such that the mirror plane passes through the imidazol­yl–methyl bond and is perpendicular to the plane of the cation. The anion lies on another special position of 2 site symmetry. The anion and uncoordinated water mol­ecule are linked into a chain by O—H⋯O hydrogen bonds. One of the water O atoms is disordered over two sites of equal occupancy

    7,9-Diallyl-6-methyl-7H-1,2,4-triazolo[4,3-b][1,2,4]triazepin-8(9H)-one

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    The title compound, C12H15N5O, features a triazolyl ring fused with a seven-membered triazepinyl ring; the latter ring adopts a boat conformation with the allyl-bearing C atom as the prow and the C and N fused-ring atoms as the stern

    4-Phenyl-9,12,15-trioxa-1,5,6,18-tetra­azatetra­cyclo­[16.6.1.02,6.019,24]penta­conta-2,4,19,21,23-pentaen-25-one

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    The title compound, C24H26N4O4, is a diaza-crown ether encompassing linked phenylpyrazolyl and benzimidazole units that contribute five atoms to the 16-atom ring. The two planar phenylpyrazolyl and benzimidazole units are aligned at an angle of 66.4 (1)°. The carbonyl O atom of the benzimidazole unit is directed away from the middle of the ring

    Ethyl 2-(2-amino-5-methyl-1,2,4-triazolo[1,5-a]pyrimidin-7-yl)acetate

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    The nine-membered fused-ring of the title compound, C10H13N5O2, is approximately planar [maximum deviation = 0.012 (1) Å]; the bond angle at the methylene C atom is 111.33 (10)°. In the crystal, the amino group forms hydrogen bonds to the N atoms of the triazole rings of adjacent mol­ecules, generating a ribbon running along the a axis

    1-Benzyl-3-[(dimethyl­amino)methyl­ene]-4-phenyl-1H-1,4-benzodiazepin-2(3H)-one

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    The title compound, C25H23N3O, features a benzene ring fused with a seven-membered 1,4-diazepine ring; the latter ring adopts a boat conformation with the (dimethyl­amino)methyl-bearing C atom as the prow and the fused-ring C atoms as the stern. There are two independent mol­ecules in the asymmetric unit with similar conformations
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