1,212 research outputs found

    2-Amino­pyrimidinium picrate

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    The geometric parameters of the title compound, C4H6N3 +·C6H2N3O7 −, are in the usual ranges. While two nitro groups are almost coplanar with the aromatic picrate ring [dihedral angles 3.0 (2) and 4.4 (3)°], the third is significantly twisted out of this plane [dihedral angle 46.47 (8)°]. Anions and cations are connected via N—H⋯O hydrogen bonds. The mol­ecules crystallize in planes parallel to (11)

    (2E)-1-(3-Bromo­phen­yl)-3-(6-meth­oxy-2-naphth­yl)prop-2-en-1-one

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    In the title compound, C20H15BrO2, the prop-2-en-1-one fragment is substanti­ally twisted [C—C—C—O = 23.0 (11)°]. The dihedral angle between the benzene and naphthalene rings is 44.28 (13)°. The only possible directional inter­actions in the crystal are weak C—H⋯π contacts, which generate (001) sheets

    (2E)-3-(1,3-Benzodioxol-5-yl)-1-(3-bromo-2-thien­yl)prop-2-en-1-one

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    In the title mol­ecule, C14H9BrO3S, the the prop-2-en-1-one (enone) fragment is close to planar [C—C—C—O = 2.5 (7)°] and it subtends dihedral angles of 12.5 (3) and 5.3 (4)° with respect to the thio­phene and benzene rings, respectively. The dihedral angle between the aromatic ring systems is 12.60 (18)°. Two C—H⋯O inter­actions help to consolidate the non-centrosymmetic crystal packing, which features undulating (100) sheets incorporating C(11) and C(12) chain motifs

    Crystal structure of 3-benzoyl-2-[(5-bromo-2-Hydroxy-3-methoxybenzylidene)amino]-4,5,6,7-tetrahydrobenzo[b]thiophene

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    In the cyclo­hexene ring of the title compound, C23H20BrNO3S, the -(CH2)4- atoms are positionally disordered [occupancy ratio = 0.753 (6):0.247 (6)]. The ring has a half-chair conformation for both the major and minor components. The dihedral angles between the mean plane of the thio­phene ring and those of the benzene and phenyl rings are 35.2 (4) and 57.7 (3)°, respectively. The planes of the two aryl rings are twisted with respect to each other by 86.4 (6)°. In the mol­ecule, there is an O-H...N hydrogen bond forming an S(6) ring motif. In the crystal, mol­ecules are linked via C-H...O hydrogen bonds, forming chains parallel to [100].Publisher PDFPeer reviewe

    1-[3,5-Bis(4-chloro­phen­yl)-4,5-dihydro-1H-pyrazol-1-yl]ethanone

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    In the title compound, C17H14Cl2N2O, the dihedral angles between the pyrazole ring and the mean planes of the benzene and chloro-substituted benzene rings are 75.97 (1) and 16.63 (1)° respectively. In the crystal, two weak C—H⋯O inter­molecular hydrogen bonds and π–π stacking inter­actions [centroid–centroid distances = 3.774 (4) and 3.716 (7) Å] are observed

    2-(4-Methyl­phen­yl)benzonitrile

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    In the title compound, C14H11N, the dihedral angle between the mean planes of the two benzene rings is 44.6 (7)°. The crystal packing is stabilized by weak inter­molecular π–π stacking inter­actions, the centroid–centroid distances being 3.8172 (12) and 3.9349 (12) Å

    Orphenadrinium picrate picric acid

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    The asymmetric unit of the title compound N,N-dimethyl-2-[(2-methyl­phen­yl)phenyl­meth­oxy]ethanaminium picrate picric acid, C18H24NO+·C6H2N3O7 −·C6H3N3O7, contains one orphenadrinium cation, one picrate anion and one picric acid mol­ecule. In the orphenadrine cation, the two aromatic rings form a dihedral angle of 70.30 (7)°. There is an intra­molecular O—H⋯O hydrogen bond in the picric acid mol­ecule, which generates an S(6) ring motif. In the crystal structure, the orphenadrine cations, picrate anions and picric acid mol­ecules are connected by strong inter­molecular N—H⋯O hydrogen bonds, π⋯π inter­actions between the benzene rings of cations and anions [centroid–centroid distance = 3.5603 (9) Å] and weak C—H⋯O hydrogen bonds, forming a three-dimensional network

    (2E)-3-(3-Bromo­phen­yl)-1-(4-chloro­phen­yl)prop-2-en-1-one: a non-merohedral twin

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    In the title compound, C15H10BrClO, the mol­ecule adopts an E configuration with respect to the C=C double bond and the dihedral angle between the aromatic ring planes is 3.98 (16)°. In the crystal, inversion dimers linked by pairs of C—H⋯O bonds are seen and weak π–π stacking [centroid–centroid separation = 3.8776 (19) Å] may further consolidate the structure. The crystal studied was a non-merohedral twin with a ratio of the twin components of 0.9093 (13):0.0907 (13). The twin operation is a twofold rotation around c*

    3,5-Bis(4-fluoro­phen­yl)-1-phenyl-4,5-dihydro-1H-pyrazole

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    In the title compound, C21H16F2N2, the dihedral angle between the fluoro­phenyl groups is 66.34 (8)°, and the dihedral angle between the envelope-configured pyrazole group (N/N/C/C/C) and the benzene ring is 11.50 (9)°. The dihedral angles between the benzene and the two fluoro-substituted phenyl groups are 77.7 (6) and 16.7 (5)°. Weak C—H⋯π interactions contribute to the stability of the crystal structure
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