organic compounds
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In the title compound, C18H19BrN2O4, the chromene unit is not quite planar (r.m.s. deviation = 0.199 Å), with the methyl C atoms lying 0.027 (4) and 1.929 (4) Å from the mean plane of the chromene unit. The six-membered carbocyclic ring of the chromene moiety adopts an envelope conformation, with the dimethyl-substituted C atom as the flap. The methylamine and nitro groups are slightly twisted from the chromene moiety, with C—N—C—O and O—N—C—C torsion angles of 2.7 (4) and −0.4 (4)°, respectively. The dihedral angle between the mean plane of the chromene unit and the benzene ring is 85.61 (13)°. An intramolecular N—HO hydrogen bond generates an S(6) ring motif, which stabilizes the molecular conformation. In the crystal, molecules are linked via N—HO hydrogen bonds, forming hexagonal rings lying parallel to the ab plane. A region of disordered electron density, most probably disordered ethanol solvent molecules, occupying voids of ca 432 Å3 for an electron count of 158, was treated using the SQUEEZE routine in PLATON [Spek (2009). Acta Cryst. D65, 148–155]. Their formula mass and unit-cell characteristics were not taken into account during refinement.
organic compounds
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In the title hydrated compound, C15H15N3O3·H2O, the nicotinohydrazide molecule adopts a trans conformation with respect to the C=N double bond. The dihedral angle between the benzene and pyridine rings is 5.10 (14)°. In the crystal, the solvent water molecule acts as an acceptor, forming an N—HO hydrogen bond supported by two C—HO contacts. It also acts as a donor, forming bifurcated O—H(O,O) and O—HN hydrogen bonds that combine with the former contacts to form zigzag chains of molecules along the c-axis direction. An additional O—HO donor contact completes a set of six hydrogen bonds to and from the water molecule and connects it to a third nicotinohydrazide molecule. This latter contact combines with weaker C—HO hydrogen bonds supported by a C—Hπ contact to stack molecules along b in a three-dimensional network.
organic compounds
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In the title molecule, C22H18O, the o-tolyl ring is connected through a conjugated double bond. The molecule adopts an E conformation and the C—C=C—C torsion angle is 178.77 (13)°. The overall conformation may be described by the values of dihedral angles between the different planes. The terminal rings are twisted by an angle of 54.75 (8)°, while the biphenyl part is not planar, the dihedral angle between the planes of the rings being 40.65 (8)°. The dihedral angle between the benzene rings is 14.10 (7)°. There are three weak C—Hπ interactions found in the crystal structure. No classic hydrogen bonds are observed.
Keywords: crystal structure.
organic compounds
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The title compound, C21H14O3, crystallizes with eight independent molecules (A–H) in the asymmetric unit which are arranged in four groups of two molecules each (AB, CD, EF and GH). In each molecule, the pyran-2-one ring is planar (r.m.s. deviations vary from 0.001 to 0.017 Å), while the pyran ring has a screw-boat conformation. In the crystal, molecules stack in two columns, along the [10-1] direction, composed of molecules C, B, E and G, and D, A, F and H. Molecules A and F are linked via C—HO hydrogen bonds. In addition, there are a number of C—Hπ contacts present involving all of the molecules. These interactions result in the formation of a three-dimensional network.
Keywords: crystal structure.
organic compounds
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In the title compound, C13H10FNO, the benzene ring planes are inclined at an angle of 50.52 (8)°. A characteristic of aromatic Schiff bases with N-aryl substituents is that the terminal phenyl rings are twisted relative to the plane of the HC=N link between them. In this case, the HC=N unit makes dihedral angles of 10.6 (2) and 40.5 (2)° with the hydroxybenzene and flurobenzene rings, respectively. In the crystal, O—HN and C—HF hydrogen bonds lead to the formation of chains along the c- and b-axis directions, respectively. C—Hπ contacts link molecules along a and these contacts combine to generate a three-dimensional network with molecules stacked along the b-axis direction.
Keywords: crystal structure.
data reports
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In the title compound, C11H10N3OS+·Cl−·2H2O, the organic cation exhibits a dihedral angle of 21.26 (8)° between the mean planes of the pyridine and thiophene rings, and dihedral angles of 15.11 (9) and 6.49 (9)° between the mean planes of the hydrazide moiety and the pyridine and thiophene rings, respectively. In the crystal, the organic cation, the chloride counter-anion and the two water molecules of crystallization are linked through an intricate hydrogen-bonding network consisting of O—HO, O—HN, N—HCl, C—HCl, C—HO, N—HO, O—HCl and C—HS interactions that consolidate a three-dimensional network.
data reports
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In the title compound, C24H14Cl2N2O2S, the 2H-chromene ring system is approximately planar, with a maximum deviation of 0.025 (2) Å. The thiazole ring is almost planar, with an r.m.s. deviation of 0.0022 Å, and makes a dihedral angle of 58.52 (7)° with the chromene ring system. The chromene ring system is inclined at angles of 58.3 (1) and 55.39 (9)° with respect to the two chlorophenyl rings. The two chlorophenyl rings show significant deviation from coplanarity, with a dihedral angle between them of 47.69 (8)°. The crystal structure features C—HCl interactions extending in (100) and propagating along the a-axis direction and weak π–π interactions [centroid–centroid separation = 3.867 (2) Å].