37 research outputs found

    4-(3-Chloro­phen­yl)-3-[(2,6-difluoro­benz­yl)sulfan­yl]-5-(3,4,5-trimeth­oxy­phen­yl)-4H-1,2,4-triazole

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    In the title compound, C24H20ClF2N3O3S, the essentially planar triazole ring (r.m.s. deviation = 0.001 Å) forms dihedral angles of 22.35 (10), 68.17 (10) and 42.01 (10)° with the mean planes of the trimeth­oxy­phenyl, chloro­phenyl and difluoro­phenyl rings, respectively. A weak intra­molecular C—H⋯π inter­action occurs. In the crystal, mol­ecules are linked into sheets lying parallel to the bc plane by C—H⋯O and C—H⋯N hydrogen bonds. The crystal packing also features weak C—H⋯π inter­actions

    5-[(4-Meth­oxy­benz­yl)sulfan­yl]-2-methyl-1,3,4-thia­diazole

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    The title mol­ecule, C11H12N2OS2, is twisted with a dihedral angle of 83.63 (12)° between the 1,3,4-thia­diazole and benzene rings. The meth­oxy group deviates slightly from the attached benzene ring, with a C—C—O—C torsion angle of 4.2 (4)°. In the crystal, mol­ecules are linked by weak C—H⋯N inter­actions and stacked along the c axis

    1-Dibromo­methyl-4-meth­oxy-2-nitro­benzene

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    The asymmetric unit of the title compound, C8H7Br2NO3, comprises two crystallographically independent mol­ecules (A and B). The nitro groups are twisted from the attached benzene rings, making dihedral angles of 39.26 (9) and 35.90 (9)° in mol­ecules A and B, respectively. In each mol­ecule, the dibromo­methyl group is orientated in such a way that the two Br atoms are tilted away from the benzene ring. An inter­esting features of the crystal structure is the two short Br⋯Br inter­actions which, together with inter­molecular C—H⋯O hydrogen bonds, link the mol­ecules into an extended three-dimensional network. The crystal structure is further stabilized by weak C—H⋯π inter­actions

    2-Methyl-5-[(3-methyl-4-nitro­benz­yl)sulfan­yl]-1,3,4-thia­diazole

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    The mol­ecule of the title thia­diazole derivative, C11H11N3O2S2, has a butterfly-like structure and the whole mol­ecule is disordered with a site-occupancy ratio of 0.629 (4):0.371 (4). The mol­ecule is disordered in such a way that the 3-methyl-4-nitro­phenyl units of the major and minor components are approximately related by 180° rotation around the C—N bond axis. The dihedral angle between the 1,3,4-thia­diazole and benzene rings is 70.8 (4)° in the major component and 74.9 (6)° in the minor component. In the crystal, mol­ecules are arranged into screw chains along the c axis. These chains are stacked along the b axis. Weak inter­molecular C—H⋯O and C—H⋯π inter­actions and a short C⋯O contact [3.005 (7) Å] are present

    4-(o-Tol­yl)piperazin-1-ium chloride

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    In the title mol­ecular salt, C11H17N2 +·Cl−, the piperazin-1-ium ring adopts a chair conformation with the aromatic ring in a pseudo-equatorial orientation. The dihedral angle between the benzene ring and the mean plane of the piperazin-1-ium ring is 51.22 (6)°. In the crystal, N—H⋯Cl hydrogen bonds link the mol­ecules into chains propagating in [100]. Weak C—H⋯π inter­actions also ocur

    4-(1,2,4-Triazol-1-yl)aniline

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    In the title compound, C8H8N4, the dihedral angle between the triazole ring [maximum deviation = 0.003 (1) Å] and the benzene ring is 34.57 (7)°. In the crystal, mol­ecules are linked into sheets lying parallel to the ac plane via inter­molecular N—H⋯N and C—H⋯N hydrogen bonds. Aromatic π–π [centroid–centroid distance = 3.6750 (8) Å] stacking and N—H⋯π inter­actions are also observed

    5-Dimethyl­amino-N,N-dimethyl-2-nitro­benzamide

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    In the title compound, C11H15N3O3, one of the methyl groups attached to the benzamide unit is slightly twisted with a C—N—C—C torsion angle of 4.04 (13)°. The crystal packing is stabilized by weak intermolecular C—H⋯O hydrogen bonds together with a weak C—H⋯π inter­action

    1-Cyclo­hexyl-5-(4-meth­oxy­phen­yl)-1H-pyrazole-4-carb­oxy­lic acid

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    In the title compound, C17H20N2O3, the meth­oxy­phenyl unit is disordered over two sets of sites in a 0.715 (4):0.285 (4) ratio. The pyrazole ring forms dihedral angles of 55.88 (16) and 72.6 (4)° with the benzene rings of its major and minor components, respectively. The cyclo­hexane ring adopts a chair conformation and its C—N bond is in an equatorial orientation. In the crystal, mol­ecules are linked into inversion dimers by pairs of O—H⋯O hydrogen bonds, generating R 2 2(8) loops

    Ethyl 1,5-diphenyl-1H-pyrazole-4-carboxyl­ate

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    The asymmetric unit of the title compound, C18H16N2O2, contains two independent mol­ecules (A and B). In mol­ecule A, the pyrazole ring is inclined at angles of 48.86 (6) and 60.80 (6)° with respect to the two phenyl rings; the corresponding angles for mol­ecule B are 46.86 (6) and 58.63 (6)°. In the crystal, mol­ecules of type A are linked into sheets parallel to (001) via weak C—H⋯O hydrogen bonds, whereas the mol­ecules of type B are linked into chains along [010] via weak C—H⋯O hydrogen bonds

    2,6-Dichloro-3-nitro­pyridine

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    The asymmetric unit of the title compound, C5H2Cl2N2O2, consists of two crystallographically independent mol­ecules. The pyridine ring in each mol­ecule is essentially planar, with maximum deviations of 0.004 (4) and 0.007 (4) Å. Short Cl⋯O [3.09 (3) and 3.13 (4) Å] and Cl⋯Cl [3.38 (12) Å] contacts were observed. No significant inter­molecular inter­actions were observed in the crystal packing
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