ABSTRACT
In the title compound, C17H21ClN2O6, the di-hydro-pyrimidine ring adopts a flattened envelope conformation, with the sp (3)-hybridized C atom forming the flap. The dihedral angle between the least-squares planes of the benzene and di-hydro-pyrimidine rings is 88.09â (6)°. An intra-molecular C-Hâ¯O hydrogen bond generates an S(6) ring. In the crystal, mol-ecules are linked via pairs of N-Hâ¯O hydrogen bonds, forming inversion dimers with an R 2 (2)(8) ring motif, and the dimers are linked via further pairs of N-Hâ¯O hydrogen bonds, forming R 2 (2)(14) rings and chains of mol-ecules along [111]. Pairs of inversion-related chains are linked via weak C-Hâ¯π inter-actions.
ABSTRACT
In the title hydrated salt, C13H10Cl2N3O(+)·Cl(-)·3H2O, the organic cation exhibits a dihedral angle of 8.26â (14)° between the mean planes of the pyridinium and benzene rings, and dihedral angles of 8.70â (15) and 15.93â (5)° between the mean planes of the hydrazide group and the benzene and pyridinium rings, respectively. In the crystal, N-Hâ¯O, N-Hâ¯Cl, C-Hâ¯O, C-Hâ¯Cl, O-Hâ¯O, O-Hâ¯N and O-Hâ¯Cl hydrogen bonds link the complex cations, chloride anions and solvent water mol-ecules into a three-dimensional network.
ABSTRACT
In the title compound, C12H14N2O2S2, the di-hydro-pyrimidine ring adopts a sofa conformation, with the C atom bearing the thienyl ring lying above the plane of the five remaining approximately coplanar (r.m.s. deviation = 0.0405â Å) atoms of the ring. The dihedral angle between the five near coplanar atoms of the ring and the thienyl ring is 89.78â (11)°. In the crystal, mol-ecules are linked into a supra-molecular chain along [100] via N-Hâ¯O(carbon-yl) hydrogen bonds. Inversion-related chains are linked into double chains via N-Hâ¯S(thione) hydrogen bonds. The three-dimensional architecture also features meth-yl-thienyl C-Hâ¯π inter-actions.
ABSTRACT
In the title hydrated compound, C15H15N3O3·H2O, the nicotinohydrazide mol-ecule adopts a trans conformation with respect to the C=N double bond. The dihedral angle between the benzene and pyridine rings is 5.10â (14)°. In the crystal, the solvent water mol-ecule acts as an acceptor, forming an N-Hâ¯O hydrogen bond supported by two C-Hâ¯O contacts. It also acts as a donor, forming bifurcated O-Hâ¯(O,O) and O-Hâ¯N hydrogen bonds that combine with the former contacts to form zigzag chains of mol-ecules along the c-axis direction. An additional O-Hâ¯O donor contact completes a set of six hydrogen bonds to and from the water mol-ecule and connects it to a third nicotinohydrazide mol-ecule. This latter contact combines with weaker C-Hâ¯O hydrogen bonds supported by a C-Hâ¯π contact to stack mol-ecules along b in a three-dimensional network.
ABSTRACT
In the title compound, C14H13N3O2·2H2O, the hydrazone mol-ecule adopts an E conformation with respect to the C=N bond. The dihedral angle between the benzene and pyridine rings is 8.55â (10)°. The methyl-idene-hydrazide [-C(=O)-N-N=C-] fragment is essentially planar, with a maximum deviation of 0.0375â (13)â Å. The mean planes of the benzene and pyridine rings make dihedral angles of 2.71â (14) and 11.25â (13)°, respectively, with mean plane of the methyl-idene-hydrazide fragment. In the crystal, the benzohydrazide and water mol-ecules are linked by N-Hâ¯O, O-Hâ¯O and O-Hâ¯N hydrogen bonds into a three-dimensional network.
ABSTRACT
In the title compound, C20H20N2O2, the quinoline ring system makes dihedral angles of 81.05â (4) and 61.16â (5)° with the mean planes of the benzene and morpholine rings, respectively; the mean planes of the latter two rings make a dihedral angle of 83.59â (4)°. In the crystal, pairs of O-Hâ¯N hydrogen bonds link neighbouring mol-ecules related by a twofold rotation axis, generating R2(2)(10) motifs.
ABSTRACT
In the title compound, C(19)H(13)Br(2)NO, the dihedral angle between the rings of the biphenyl group is 53.59â (14)°. The ring of the benzamide group is inclined to the phenyl rings of the biphenyl group by 23.87â (15) and 75.89â (15)°. There are no significant inter-molecular inter-actions in the crystal structure.
ABSTRACT
In the title compound, C(25)H(17)NO(4), the indolizine fused naphthaquinone unit is approximately planar [r.m.s deviation = 0.0678â Å] and makes a dihedral angle of 57.82â (5)° with the benzene ring of the meth-oxy-benzene group. The naphtho-quinone O atoms deviate, in the same sense, from the mean plane of the fused six-membered rings by 0.2001â (14) and 0.0516â (14)â Å. In the crystal there is π-π stacking of inversion-related pairs of mol-ecules [inter-planar spacing = 3.514â (2)â Å].
ABSTRACT
The complete mol-ecule of the title compound, C(10)H(4)N(2)S(2), is generated by an inversion center situated at the mid-point of the bridging C-C bond. The bithio-phene ring system is planar [maximum deviation = 0.003â (2)â Å] and the central C-C bond length is 1.450â (2)â Å. There are no significant inter-molecular inter-actions in the crystal structure, which is stabilized by van der Waals inter-actions.
ABSTRACT
In he title compound, C(16)H(13)Br(4)N, the carbazole skeleton is nearly planar [maximum deviation = 0.026â (4)â Å] and makes a dihedral angle of 73.8â (4)° with the butyl chain. The butyl chain adopts a trans conformation. In the crystal, mol-ecules are linked by π-π stacking inter-actions [centroid-centroid distance = 3.559â (2)â Å].
ABSTRACT
The title compound, C(12)H(7)Br(2)NO(2), a biphenyl derivative, displays a twisted conformation with the two benzene rings making a dihedral angle of 55.34â (14)°. The dihedral angle between the nitro group and its parent benzene ring is 26.8â (2)°. The crystal structure is stabilized by inter-molecular C-Hâ¯Br and C-Hâ¯O inter-actions, which lead to the formation of chains propagating along the c-axis direction.