4-[5-(Furan-2-yl)-3-trifluoro­methyl-1H-pyrazol-1-yl]benzene­sulfonamide

In the title compound, C14H10F3N3O3S, there are significant twists in the mol­ecule, as seen in the values of the dihedral angles between the pyrazole ring and each of the furan [31.1 (2)°] and benzene rings [55.58 (10)°]. The amino N atom occupies a position almost normal to the benzene ring [N—S—Car—Car (ar = aromatic) torsion angle = 83.70 (19)°]. One amino H atom forms a hydrogen bond to the tricoordinate pyrazole N atom and the other inter­acts with a sulfonamide O atom, forming a supra­molecular chain along [010]. The chains are consolidated into a supra­molecular layers via C—H⋯O inter­actions involving the second sulfonamide O atom; layers stack along [10-1]. The furan ring was found to be disordered over two diagonally opposite orientations of equal occupancy

4-(4-Bromo­phen­yl)-2-oxo-1,2,5,6-tetra­hydro­benzo[h]quinoline-3-carbonitrile

In the mol­ecule of the title compound, C20H13BrN2O, the tetra­hydro­benzo[h]quinoline fused-ring system is buckled owing to the ethyl­ene –CH2CH2– fragment, the benzene ring and the pyridine ring being twisted by 17.7 (1)°. The 4-substituted aromatic ring is bent away from the pyridine ring by 82.3 (1)° in order to avoid crowding the cyanide substituent. Two mol­ecules are linked by a pair of N—H⋯O hydrogen bonds to form a centrosymmetric dimer

2-[(Indan-1-yl­idene)amino]­ethanol

The five-membed ring of the title compound, C11H13NO, that is fused with the aromatic ring is approximately planar (r.m.s. deviation = 0.037 Å) despite the presence of the sp 3-hybrid­ized ethyl­ene linkage. The hy­droxy group of the N-bound hy­droxy­ethyl chain serves as hydrogen-bond donor to the azomethine N atom of an adjacent mol­ecule, generating a hydrogen-bonded C 2-symmetric dimer

4-(1,3-Benzodioxol-5-yl)-2-oxo-1,2,5,6-tetra­hydro­benzo[h]quinoline-3-carbo­nitrile

In the mol­ecule of the title compound, C21H14N2O3, the tetra­hydro­benzo[h]quinoline fused-ring system is buckled owing to the ethyl­ene –CH2CH2– fragment, the benzene ring and the pyridine ring being twisted by 24.3 (1)°. The ring of the benzodioxol system is bent away from the pyridine ring by 61.4 (1)° in order to avoid crowding the cyanide substituent. Two mol­ecules are linked by a pair of N—H⋯O hydrogen bonds to form a centrosymmetric dimer

2-Oxo-4-(thio­phen-2-yl)-1,2,5,6-tetra­hydro­benzo[h]quinoline-3-carbonitrile

In the mol­ecule of the title compound, C18H12N2OS, the tetra­hydro­benzo[h]quinoline fused-ring system is buckled owing to the ethyl­ene –CH2CH2– fragment, the benzene ring and the pyridine ring being twisted by 16.0 (1)°. The 4-substituted aromatic ring is bent away from the pyridine ring by 59.5 (2)° (for the major disordered thienyl component) in order to avoid crowding the cyanide substituent. In the crystal, two mol­ecules are linked by a pair of N—H⋯O hydrogen bonds to form a centrosymmetric dimer. The thienyl ring is disordered over two sites in a 72.7 (2):27.3 ratio

4-(4-Meth­oxy­phen­yl)-2-oxo-1,2,5,6-tetra­hydro­benzo[h]quinoline-3-carbo­nitrile

In the mol­ecule of the title compound, C21H16N2O2, the tetra­hydro­benzo[h]quinoline fused-ring system is buckled owing to the ethyl­ene –CH2CH2– fragment, the benzene ring and the pyridine ring being twisted by 19.7 (1)°. The 4-substituted aromatic ring is bent away from the pyridine ring by 50.3 (1)° in order to avoid crowding the cyanide substituent. In the crystal, two mol­ecules are linked by a pair of N—H⋯O hydrogen bonds to form a centrosymmetric dimer

(2Z)-3-(4-Chloro­anilino)-1-(5-hy­droxy-3-methyl-1-phenyl-1H-pyrazol-4-yl)but-2-en-1-one

With the exception of the terminal benzene rings, the atoms in the title compound, C20H18ClN3O2, are approximately coplanar (r.m.s. deviation = 0.0495 Å). The benzene/chloro­benzene rings form dihedral angles of 3.02 (4) and 41.59 (5)°, respectively, with this plane. The hy­droxy, amino and carbonyl groups all lie to the same side of the mol­ecule, enabling the formation of intra­molecular O—H⋯O and N—H⋯O hydrogen bonds that close S(6) rings. The configuration about the 2-butene bond is Z. Supra­molecular chains mediated by C—H⋯Cl inter­actions and aligned along the c axis are found in the crystal packing. These assemble into layers that are connected by weak π–π inter­actions between centrosymmetrically related chloro­benzene rings [3.8156 (9) Å]

N,N′-Bis[1-(thiophen-2-yl)ethylidene]ethane-1,2-diamine

Mol­ecules of the title compound, C14H16N2S2, have a centre of inversion in the middle of the –CH2–CH2– bond; the (C4H3S)(CH3)C=N–CH2– moiety is almost planar (r.m.s. deviation for non-H atoms 0.027 Å)

Co-crystallization of a neutral molecule and its zwitterionic tautomer: structure and Hirshfeld surface analysis of 5-methyl-4-(5-methyl-1H-pyrazol-3-yl)-2-phenyl-2,3-dihydro-1H-pyrazol-3-one 5-methyl-4-(5-methyl-1H-pyrazol-2-ium-3-yl)-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-1-ide monohydrate

The title compound, 2C14H14N4OH2O, comprises a neutral molecule containing a central pyrazol-3-one ring flanked by an N-bound phenyl group and a C-bound 5-methyl-1H-pyrazol-3-yl group (at positions adjacent to the carbonyl substituent), its zwitterionic tautomer, whereby the N-bound proton of the central ring is now resident on the pendant ring, and a water molecule of crystallization. Besides systematic variations in geometric parameters, the two independent organic molecules have broadly similar conformations, as seen in the dihedral angle between the five-membered rings [9.72 (9) for the neutral molecule and 3.32 (9) for the zwitterionic tautomer] and in the dihedral angles between the central and pendant five-membered rings [28.19 (8) and 20.96 (8) (neutral molecule); 11.33 (9) and 11.81 (9)]. In the crystal, pyrazolyl-N—HO(carbonyl) and pyrazolium-N—HN(pyrazolyl) hydrogen bonds between the independent organic molecules give rise to non-symmetric ninemembered {HNNHNC3O} and {HNNHNC3O} synthons, which differ in the positions of the N-bound H atoms. These aggregates are connected into a supramolecular layer in the bc plane by water-O—HN(pyrazolide), waterO—HO(carbonyl) and pyrazolyl-N—HO(water) hydrogen bonding. The layers are linked into a three-dimensional architecture by methyl-C—H(phenyl) interactions. The different interactions, in particular the weaker contacts, formed by the organic molecules are clearly evident in the calculated Hirshfeld surfaces, and the calculated electrostatic potentials differentiate the tautomers

(E)-2-Methyl-5-(thiophen-2-ylmethyl­idene)cyclopentan-1-one

The exocyclic C=C double-bond in the title compound, C11H12OS, has an E configuration. The methyl-bearing C atom in the cyclo­pentane ring is disordered over two positions with a site-occupation factor of 0.899 (8) for the major occupied site