29 research outputs found

    (1E,2E)-1,2-Bis[1-(3-nitro­phen­yl)ethyl­idene]hydrazine

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    The asymmetric unit of the title compound, C16H14N4O4, contains one half-mol­ecule of (nitro­phen­yl)ethanimine and the complete mol­ecule is generated by a crystallographic inversion centre. The mol­ecule has an E conformation with respect to each C=N double bond. The central C=N—N=C plane is twisted from the benzene rings with a dihedral angle of 24.76 (11)°. In the crystal, C—H⋯O inter­actions link the molecules to form sheets that lie parallel to (10-4)

    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

    3-Methyl-5-oxo-4-(2-phenyl­hydrazinyl­idene)-4,5-dihydro-1H-pyrazole-1-carbothio­amide

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    In the title compound, C11H11N5OS, the pyrazole ring is approximately planar, with a maximum deviation of 0.010 (2) Å. The dihedral angles between the benzene ring and the pyrazole and carbothio­amide groups are 5.42 (9) and 10.61 (18)°, respectively. An intra­molecular N—H⋯O hydrogen bond generates an S(6) ring motif. In the crystal, mol­ecules are connected by inter­molecular N—H⋯O and C—H⋯S hydrogen bonds, forming R 2 2(12) ring motifs. In addition, there is a π–π stacking inter­action [centroid–centroid distance = 3.5188 (11) Å] between the pyrazole and benzene rings. These inter­actions link the mol­ecules into infinite chains along [001]

    2-(4-Bromo­phen­yl)-2-oxoethyl anthracene-9-carboxyl­ate

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    In the title compound, C23H15BrO3, the anthracene ring system is essentially planar [maximum deviation = 0.29 (2) Å] and makes a dihedral angle of 5.74 (8)° with the mean plane of the bromo-substituted benzene ring. An intra­molecular C—H⋯O hydrogen bond generates an S(9) ring motif. In the crystal, mol­ecules are linked by C—H⋯O inter­actions, forming a two-dimensional network parallel to the ac plane. π–π stacking inter­actions are observed between benzene rings [centroid–centroid distances = 3.5949 (14) and 3.5960 (13) Å]

    6α-Hy­droxy-5,6-dihydro­salviasperanol

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    In the title compound, C20H28O4, a diterpenoid isolated from the roots of Premna obtusifolia (Verbenaceae), the five-membered ring is in a half-chair conformation. One six-membered ring exists in a twisted-boat conformation while the other is in half-boat conformation. The crystal packing is stabilized by inter­molecular O—H⋯O and weak C—H⋯O inter­actions, generating (001) sheets

    4-(Morpholin-4-yl)-3-(trifluoro­meth­yl)­benzonitrile

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    In the title benzonitrile compound, C12H11F3N2O, an intra­molecular C—H⋯F hydrogen bond generates an S(7) ring motif. The trifluoro­methyl group is disordered over two orientations with a refined occupancy ratio of 0.549 (16):0.451 (16). The morpholine ring adopts a chair conformation. The benzene ring and mean plane of the morpholine ring make a dihedral angle of 58.04 (10)° with each other. In the crystal, mol­ecules are connected by inter­molecular C—H⋯F and C—H⋯O inter­actions to form R 2 2(8) ring motifs. These inter­actions also link the mol­ecules into chains parallel to the [10] direction

    (E)-1-[4-(Hexyloxy)phenyl]-3-(2-hydroxyphenyl) prop-2-en-1-one

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    In the title compound, C21H24O3, the enone moiety adopts an s-cis conformation and the dihedral angle between the benzene rings is 12.89 (6)�. The hexyloxy tail adopts an extended conformation. In the crystal, inversion dimers are linked by pairs of O—H� � �O hydrogen bonds and pairs of C— H� � �O interactions, forming two R2 2(7) and one R2 2(10) loops. The dimers are then arranged into sheets lying parallel to (201) and weak C—H� � �� interactions consolidate the packing

    Ethyl 2-[2-(3-meth­oxy­phen­yl)hydrazinyl­idene]-3-oxobutano­ate

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    The title compound, C13H16N2O4, is approximately planar (r.m.s. deviation = 0.065 Å for the 19 non-H atoms). An intra­molecular N—H⋯O hydrogen bond generates an S(6) ring motif and the mol­ecule adopts an E conformation with respect to the central C=N double bond. In the crystal, pairs of inter­molecular C—H⋯O hydrogen bonds link adjacent mol­ecules into inversion dimers. The crystal structure also features weak C—H⋯π inter­actions

    7-(4-Chloro­benzyl­idene)-3-[(4-chloro­phen­oxy)meth­yl]-6-(4-nitro­thio­phen-2-yl)-7H-1,2,4-triazolo[3,4-b][1,3,4]thia­diazine

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    In the title compound, C22H13Cl2N5O3S2, the thia­diazine ring adopts a half-chair conformation. The benzene rings of the chloro­phen­oxy and chloro­benzyl groups and the thio­phene ring form dihedral angles of 35.6 (1), 80.7 (1) and 14.2 (1)°, respectively, with the triazole ring. In the crystal, mol­ecules are connected into sheets parallel to (11) by inter­molecular C—H⋯N and C—H⋯Cl hydrogen bonds. In addition, π–π stacking inter­actions are observed between thio­phene and triazole rings, and between inversion-related triazole rings [centroid–centroid distances = 3.5975 (11) and 3.4324 (11) Å]

    4-[(2,4-Difluoro­phen­yl)hydrazinyl­idene]-3-methyl-5-oxo-4,5-dihydro-1H-pyrazole-1-carbothio­amide

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    In the title compound, C11H9F2N5OS, the pyrazole ring forms a dihedral angle of 16.42 (6)° with the benzene ring. Intra­molecular N—H⋯O hydrogen bonds generate two S(6) ring motifs. In the crystal, an R 2 2(8) ring motif is formed by a pair of inter­molecular N—H⋯S hydrogen bonds. Inter­molecular C—H⋯F hydrogen bonds further link the mol­ecules into a three-dimensional network
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