273 research outputs found

    (E)-1-(2,5-Dichloro­thio­phen-3-yl)ethan­one [8-(trifluoro­meth­yl)quinolin-4-yl]hydrazone

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    In the title compound, C16H10Cl2F3N3S, the dihedral angle between the quinoline and thio­phene ring systems is 4.94 (10)°. The NH group of the hydrazone moiety does not form a hydrogen bond, due to a steric crowding. In the crystal, the thio­phene ring takes part in weak π–π stacking inter­actions with the pyridine ring [centroid-to-centroid separation = 3.7553 (19) Å and inter­planar angle = 5.48 (12)°] and the benzene ring [3.7927 (19) Å and 4.58 (12)°]. Together, these lead to [100] stacks of mol­ecules in an alternating head-to-tail arrangement, with two π–π stacking contacts between each adjacent pair

    Ethyl N-(2-benzoyl-4-chloro­phen­yl)­ethane­carboximidate

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    In the title compound, C17H16ClNO2, the N=C—O—C—C fragment is planar within 0.029 (1) Å, and makes dihedral angles of 66.71 (8) and 59.61 (8)° with the planes of the chloro­phenyl and benzoyl rings, respectively. The carbonyl C=O bond is not coplanar with either of the aromatic rings; it makes angles of 42.5 and 23.5° with the normals to the ring planes. In the crystal, very weak C—H⋯O, C—H⋯Cl, C—H⋯π and π–π [inter­planar distance = 3.53 (1) Å] inter­actions are observed

    Methyl 2,2-diphenyl-2-(prop-2-yn-1-yl­oxy)acetate

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    The mol­ecular structure of the title compound, C18H16O3, exhibits a new R 2–C(COOMe)(OCH2CCH) group. The C—O—C—C torsion angle is 153.3 (1)°. The dihedral angles are 79.89 (5)° between phen­yl/phenyl planes, and 73.13 (5) and 79.05 (8)° for the two COOMe/phenyl plane pairs

    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

    4-[Bis(4-fluoro­phen­yl)meth­yl]piperazin-1-ium 2-hy­droxy­benzoate 2-hy­droxy­benzoic acid monosolvate

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    The title compound, C17H19F2N2 +·C7H5O3 −·C7H6O3, is a co-crystal from 4-[bis­(4-fluoro­phen­yl)meth­yl]piperazin-1-ium, salicylate anion and salicylic acid in a 1:1:1 ratio. In addition to an intra­molecular O—H⋯O hydrogen bond, the crystal packing shows hydrogen bonds between the piperazinium cation and salicylate anion (N—H⋯O), as well as between the salicylic acid mol­ecule and anion (O—H⋯O), giving rise to a three-dimensional network

    4-[Bis(4-fluoro­phen­yl)meth­yl]piperazin-1-ium bis­­(tri­chloro­acetate) 0.4-hydrate

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    The title compound, C17H20F2N22+·2C2Cl3O2−·0.4H2O, has twofold protonated N atoms. The trichloro­acetate anions each show one disordered Cl atom with site occupation factors of 0.945 (7):0.055 (7) 0.945 (8):0.055 (8). In the crystal, N—H⋯O, O(water)—H⋯O and O(water)—H⋯F inter­actions connect the components into a three-dimensional network

    4-(4-Chloro­phen­yl)-4-hy­droxy­piperidinium benzoate

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    In the title salt, C11H15ClNO+·C7H5O2 −, the dihedral angle between the mean planes of the chloro­phenyl ring of the cation and the benzene ring of the anion is 74.4 (1)°. In the cation, the six-membered piperazine ring adopts a chair conformation. The crystal packing is stabilized by inter­molecular N—H⋯O and O—H⋯O hydrogen bonds, and weak inter­molecular C—H⋯O, C—H⋯Cl and C—H⋯π inter­actions

    N,N-Dimethyl-3-oxo-3-(thio­phen-2-yl)propanaminium chloride

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    In the title mol­ecular salt, C9H14NOS+·Cl−, the crystal packing is stabilized by weak inter­molecular N—H⋯Cl, C—H⋯Cl and C—H⋯π inter­actions, which lead to the formation of a two-dimensional supra­molecular layer which stacks along the b axis

    Triprolidinium dichloranilate–chloranilic acid–methanol–water (2/1/2/2)

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    In the triprolidinium cation of the title compound {systematic name: 2-[1-(4-methyl­phen­yl)-3-(pyrrolidin-1-ium-1-yl)prop-1-en-1-yl]pyridin-1-ium bis­(2,5-dichloro-4-hy­droxy-3,6-dioxo­cyclo­hexa-1,4-dien-1-olate)–2,5-dichloro-3,6-dihy­droxy­cyclo­hexa-2,5-diene-1,4-dione–methanol–water (2/1/2/2)}, C19H24N2 2+·2C6HCl2O4 −·0.5C6H2Cl2O4·CH3OH·H2O, the N atoms on both the pyrrolidine and pyridine groups are protonated. The neutral chloranilic acid mol­ecule is on an inversion symmetry element and its hy­droxy H atoms are disordered over two positions with site-occupancy factors of 0.53 (6) and 0.47 (6). The methanol solvent mol­ecule is disordered over two positions in a 0.836 (4):0.164 (4) ratio. In the crystal, N—H⋯O, O—H⋯O and C—H⋯O inter­actions link the components. The crystal structure also features π–π inter­actions between the benzene rings [centroid–centroid distances = 3.5674 (15), 3.5225 (15) and 3.6347 (15) Å]

    Triprolidinium dipicrate

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    In the tripodinium cation of the title compound {systematic name: 2-[(E)-1-(4-methyl­phen­yl)-3-(pyrrolidin-1-ium-1-yl)prop-1-en­yl]pyridinium bis­(2,4,6-trinitro­phenolate)}, C19H24N2 +·2C6H2N3O7 −, the N atoms on both the pyrrolidine and pyridinium groups are protonated. The pyrrolidine group adopts a slightly distorted envelope configuration. Strong N—H⋯O cation–anion hydrogen bonds and weak inter­molecular N—H⋯O inter­actions link the dication and two anions. In both picrate anions, the nitro groups display rotational disorder over two orientations in a 0.605 (6):0.395 (6) ratio. The crystal packing also features weak inter­molecular π–π [centroid–centroid distance = 3.8036 (14) Å] and C—H⋯O inter­actions
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