138 research outputs found

    3-Methyl-1,2,4-triazolo[3,4-a]phthalazine monohydrate

    Get PDF
    In the crystal structure of the title compound, C10H8N4·H2O, the organic mol­ecules are approximately planar [maximum deviation from the least-squares plane = 0.041 (2) Å]. Two mol­ecules are connected by two water mol­ecules via O—H⋯N hydrogen bonding into dimers, which are located around centres of inversion. In the crystal, mol­ecules are stacked in the a-axis direction, with mean distances between the π systems of 3.43 (1) and 3.46 (1) Å [centroid–centroid distances are 3.604 (2) and 3.591 (2) Å]

    2-Isopropyl-5-methyl­cyclo­hexyl 5-acet­oxy-1,3-oxathiol­ane-2-carboxyl­ate

    Get PDF
    In the title compound, C16H26O5S, the oxathiol­ane ring adopts an envelope conformation, with the S atom 0.793 (3) Å out of the mean plane of the remaining four atoms. The cyclo­hexane ring of the menthol fragment adopts an almost ideal chair conformation, with all substituents in the equatorial positions. In the crystal, relatively strong, short and linear C—H⋯O hydrogen bonds link the mol­ecules into the chains along [100] direction. The chains are packed into the crystal structure by means of weak dispersive inter­actions. Inter­molecular C—H⋯S inter­actions are also observed

    1-(2,5-Dichloro-3-thien­yl)ethanone: infinite sheets mediated by O⋯Cl halogen bonds

    Get PDF
    In the title compound, C6H4Cl2OS, the acetyl group is almost coplanar with the thio­phene ring [dihedral angle = 4.01 (2)°]. In the crystal, short inter­molecular O⋯Cl contacts [2.9494 (14) and 3.1191 (14) Å] link the mol­ecules into infinite (100) sheets and aromatic π–π stacking [centroid–centroid separation = 3.5422 (10) Å] consolidates the packing

    (1E)-1-(3-Bromo­phen­yl)ethanone 2,4-di­nitro­phenyl­hydrazone

    Get PDF
    The title compound, C14H11BrN4O4, contains 3-bromo­phenyl and 2,4-dinitro­phenyl groups on opposite sides of a hydrazone unit and crystallizes with two mol­ecules in the asymmetric unit. The dihedral angles between the two ring systems in each mol­ecule are 2.0 (1) and 2.5 (4)°. Weak C—H⋯O hydrogen bonds and weak π–π stacking inter­actions [centroid–centroid distance = 3.7269 (14) Å] help to establish the packing. Intra­molecular N—H⋯O hydrogen bonds are also observed. On one of the rings, the Br atom is disordered over two equivalent positions of the phenyl ring [occupancy ratio 0.8734 (10):0.1266 (10)

    (2E)-1-(2,5-Dichloro-3-thien­yl)-3-(6-meth­oxy-2-naphth­yl)prop-2-en-1-one

    Get PDF
    In the title compound, C18H12Cl2O2S, the dihedral angle between the thio­phene ring and the naphthalene ring system is 2.13 (4)°. In the crystal, pairs of weak inter­molecular C—H⋯O hydrogen bonds form centrosymmetric dimers

    (2E)-1-(3-Bromo­phen­yl)-3-(4,5-dimeth­oxy-2-nitro­phen­yl)prop-2-en-1-one

    Get PDF
    In the title compound, C17H14BrNO5, the dihedral angle between the 3-bromo-substituted benzene ring and the 4,5-dimeth­oxy-2-nitro-phenyl ring is 15.2 (1)°. The dihedral angles between the mean plane of the propenone group and the mean planes of the 3-bromo-substituted benzene and 4,5-dimeth­oxy-2-nitro­phenyl rings are 6.9 (6) and 20.5 (5)°, respectively. Weak inter­molecular C—H⋯O inter­actions contribute to crystal stability and π–π inter­actions [centroid–centroid distances = 3.7072 (18) and 3.6326 (18) Å] are also observed

    (±)-Ethyl 6-(6-meth­oxy-2-naphth­yl)-4-(4-methyl­phen­yl)-2-oxocyclo­hex-3-ene-1-carboxyl­ate

    Get PDF
    In the title compound, C27H26O4, the dihedral angle between the naphthalene ring system and the benzene ring is 73.10 (5)°. In the crystal, a weak C—H⋯O inter­action occurs. Two C—H groups of the cyclo­hexene ring are disordered over two sets of sites in a 0.796 (5):0.204 (5) ratio, which corresponds to partial overlap of the two enanti­omeric mol­ecules

    Ethyl 4-(2,4-dichloro­phen­yl)-6-(6-meth­oxy-2-naphth­yl)-2-oxocyclo­hex-3-ene-1-carboxyl­ate

    Get PDF
    In the title compound, C26H22Cl2O4, the cyclo­hexenone ring adopts an approximate half-chair conformation, with two C atoms displaced by −0.485 (6) and 0.218 (6) Å from the plane of the other four ring atoms. The dihedral angles between its four almost coplanar [maximum deviation = 0.006 (2) Å] atoms and the benzene and naphthalene ring systems are 59.26 (13) and 79.94 (9)°, respectively. The dihedral angle between the aromatic rings systems is 77.14 (7)°. A short intra­molecular C—H⋯Cl contact generates an S(6) ring. In the crystal, mol­ecules are linked by C—H⋯O and C—H⋯Cl inter­actions to generate a three-dimensional network

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

    Get PDF
    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

    (E)-1-(2,5-Dichloro-3-thien­yl)-3-(3,4-dimeth­oxy­phen­yl)prop-2-en-1-one

    Get PDF
    In the title compound, C15H12Cl2O3S, the prop-2-en-1-one (enone) fragment is almost planar [C—C—C—O = 2.2 (4)°] and it subtends dihedral angles of 11.9 (2) and 11.0 (2)° with the thio­phene and benzene rings, respectively. The dihedral angle between the aromatic rings is 3.47 (16)°. In the crystal, weak C—H⋯O and C—H⋯Cl inter­actions link the mol­ecules, leading to R 2 2(14), R 2 2(24) and C(11) supra­molecular motifs occurring within the three-dimensional network. Weak aromatic π–π stacking [centroid–centroid separations = 3.6823 (15) and 3.8722 (15) Å] may also help to consolidate the packing
    corecore