85 research outputs found

    (E)-1-(2-Thien­yl)-3-(2,4,5-trimethoxy­phen­yl)prop-2-en-1-one

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    In the title mol­ecule, C16H16O4S, the enone fragment, thio­phene ring and benzene ring are individually essentially planar. The thio­phene ring is disordered over two sites, corresponding to a rotation of approximately 180° about the single C—C bond to which it is attached. The approximate ratio of occupancies for the major and minor components is 0.872 (2):0.128 (2). The major component of the thio­phene ring and the benzene ring are twisted from each other by 13.92 (19)°. An intra­molecular C—H⋯O hydrogen bond generates an S(5)S(5) ring motif. The crystal structure is stabilized by inter­molecular C—H⋯O hydrogen-bonding inter­actions. In addition, a π–π stacking inter­action, with a centroid–centroid distance of 3.852 (2) Å, and short S⋯O [2.9378 (12) Å] and O⋯O [2.5811 (16) Å] contacts are observed

    (E)-3-(3,4-Dimethoxy­phen­yl)-1-(2-fur­yl)prop-2-en-1-one

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    In the title mol­ecule, C15H14O4, the benzene and furyl rings are inclined to each other with a dihedral angle of 41.5 (1)°. An intra­molecular C—H⋯O hydrogen-bond inter­action generates an S(5) ring motif. In the crystal structure, mol­ecules are stacked along the b axis and the crystal packing is stabilized by inter­molecular C—H⋯O and C—H⋯π inter­actions. In addition, π–π stacking inter­actions with a centroid-to-centroid distance of 3.5855 (11) Å are observed

    4-[3,5-Bis(2-hy­droxy­phen­yl)-1H-1,2,4-triazol-1-yl]benzoic acid dimethyl­formamide monosolvate

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    In the mol­ecule of deferasirox dimethyl­formamide solvate, C21H15N3O4·C3H7NO, the central 1,2,4-triazole ring is tilted with respect to the benzoic acid and one of the 2-hy­droxy­phenyl units but coplanar with the other 2-hy­droxy­phenyl group, as indicated by the dihedral angles of 33.69 (9), 72.57 (8) and 5.18 (9)°, respectively. Intra­molecular O—H⋯N hydrogen bonds generate an S(6) ring motif. In the crystal, deferasirox mol­ecules are linked by O—H⋯N hydrogen bonds and weak C—H⋯O inter­actions into chains along the c axis. The dimethyl­formamide solvent mol­ecules are located between the deferasirox chains and are linked to the deferasirox mol­ecules by O—H⋯O hydrogen bonds and weak C—H⋯O inter­actions

    S-Benzyl­thio­uronium 3-nitro­benzene­sulfonate

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    In the title compound, C8H11N2S+·C6H4NO5S−, the asymmetric unit is composed of two crystallographically independent S-benzyl­thio­uronium cations and two independent nitro­benzene­sulfonate anions. An intra­molecular hydrogen bond generates an S(5)S(5) ring motif. The crystal packing is stabilized by intra­molecular C—H⋯O and inter­molecular C—H⋯O, N—H⋯O and N—H⋯S hydrogen bonds which, along with short S⋯O [3.034 (2) Å] and N⋯O [2.796 (3) Å] contacts, form a two-dimensional network parallel to the ab plane

    (3Z,3′Z)-3,3′-(3,5-Dimethyl­furan-2,4-diyl)bis­(4-hy­droxy­pent-3-en-2-one)

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    In the title mol­ecule, C16H20O5, the two 4-hy­droxy­pent-3-en-2-one units are essentially planar, with r.m.s. deviations of 0.0183 (2) and 0.0134 (2) Å for the non-H atoms, and make dihedral angles of 81.20 (10) and 84.44 (10)° with the central furan ring. The dihedral angle between these two side units is 22.06 (9)°. Two intra­molecular O—H⋯O hydrogen bonds generate two S(6) ring motifs. A weak inter­molecular C—H⋯O inter­action is also observed

    4-Chloro-N′-[(Z)-4-nitro­benzyl­idene]benzohydrazide monohydrate

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    In the title compound, C14H10ClN3O3·H2O, the benzohydrazide group is not planar and the mol­ecule exists in a cis configuration with respect to the methyl­idene unit. The dihedral angle between the two substituted benzene rings is 38.7 (3)°. In the crystal structure, mol­ecules are linked by O—H⋯O, O—H⋯N and N—H⋯O hydrogen bonds into a two-dimensional network parallel to the (100) plane. The crystal structure is further stabilized by weak C—H⋯O inter­actions

    (E)-3-(4-Methyl­phen­yl)-1-(4-nitro­phenyl)prop-2-en-1-one

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    The asymmetric unit of the title compound, C16H13NO3, contains two independent mol­ecules related approximately by a pseudo-twofold rotation axis. The dihedral angle between the nitro­benzene and methyl­phenyl rings is 42.18 (6)° in one mol­ecule and 12.97 (6)° in the other. In both mol­ecules, the nitro group is slightly twisted away from the attached benzene ring. In the crystal structure, the mol­ecules are stacked along the b axis and are linked via C—H⋯O and C—H⋯π inter­actions

    (E)-4-Amino-N-(1,2-dihydro­pyridin-2-yl­idene)benzene­sulfonamide nitro­methane monosolvate

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    In the title solvate, C11H11N3O2S·CH3NO2, the dihedral angle between the benzene ring and the N-containing ring is 85.94 (11)°, and an approximate V shape arises for the sulfonamide mol­ecule. In the crystal, N—H⋯O and N—H⋯N hydrogen bonds and weak C—H⋯O inter­actions link the sulfonamide mol­ecules into a three-dimensional network. The nitro­methane solvent mol­ecules are located in the inter­stitial sites in the sulfonamide network

    (E)-1-(4-Bromo­phen­yl)-3-(2-chloro­phen­yl)prop-2-en-1-one

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    The structure of the title compound, C15H10BrClO, comprises two substituted benzene rings bridged by a prop-2-en-1-one group and exists in an E configuration about the C=N double bond. The dihedral angle formed between the 4-bromo­phenyl and 2-chloro­phenyl rings is 23.77 (18)°. In the crystal structure, the mol­ecules are linked by weak C—H⋯O inter­actions, forming a supra­molecular zigzag chain. Intramolecular C—H⋯Cl and C—H⋯O hydrogen bonds are also present

    3-Fluoro­anilinium 4-methyl­benzene­sulfonate

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    In the crystal structure of the title salt, C6H7FN+·C7H7O3S−, the components are linked into chains along [010] via N—H⋯O hydrogen bonds. Further stabilization is is provided by weak π–π stacking inter­actions, with a centroid–centroid distance of 3.7156 (12) Å
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