The title complex, [Cu{μ3-O2CC6H3(NO2)2-3,5}(μ-OH)] n , features zigzag chains in which successive pairs of Cu(II) atoms are connected by OH bridges and bidentate carboxyl-ate ligands, leading to six-membered Cu(O)(OCO)Cu rings. The zigzag chains are connected into a three-dimensional architecture by Cu-O(nitro) bonds. The coordination geometry of the Cu(II) atom is square-pyramidal, with the axial position occupied by the nitro O atom, which forms the longer Cu-O bond. Bifurcated hy-droxy-nitro O-H⋯O hydrogen bonds contribute to the stability of the crystal structure.
The asymmetric unit of the title cyclic thio-urea derivative, C10H12N2S, comprises two mol-ecules, each of which has a twist about the CH2-CH2 bond within the five-membered ring. The major difference between the independent mol-ecules is manifested in the relative orientations of the five- and six-membered rings [dihedral angles between the least-squares planes = 28.03 (11) and 41.54 (11)°]. A network of C-H⋯π inter-actions consolidates the three-dimensional crystal packing.
The title dimethyl sulfoxide solvate, [Hg2(C12H9ClN2)I2]·C2H6OS, features tetra-hedrally and linearly coordinated Hg(II) atoms. The distorted tetrahedral coordination sphere is defined by chelating N atoms that define an acute angle [69.6 (3)°] and two I atoms that form a wide angle [142.80 (4)°]. The linearly coordinated Hg(II) atom [177.0 (4)°] exists with a donor set defined by C and Cl atoms. Secondary inter-actions are apparent in the crystal packing with the tetra-hedrally and linearly coordinated Hg(II) atoms expanding their coordination environments by forming weak Hg⋯I [3.772 (7) Å] and Hg⋯O [2.921 (12) Å] inter-actions, respectively. Mercury-containing mol-ecules stack along the a axis, are connected by π-π inter-actions [inter-centroid distance between pyridine and benzene rings = 3.772 (7) Å] and define channels in which the dimethyl sulfoxide mol-ecules reside. The latter are connected by the aforementioned Hg⋯O inter-actions as well as C-H⋯I and C-H⋯O inter-actions, resulting in a three-dimensional architecture.
The complete binuclear molecule of the title compound, [Cd2I4(C14H12N2O2)2], is generated by the application of a centre of inversion. The Cd-I bond lengths of the central core are close and uniformly longer than the exocyclic Cd-I bond. The coordination sphere of the Cd(II) atom is completed by two N atoms of a chelating methyl 4-[(pyridin-2-yl-methyl-idene)amino]-benzoate ligand, and is based on a square pyramid with the terminal I atom in the apical position. The three-dimensional crystal packing is stabilized by C-H⋯O and C-H⋯π inter-actions, each involving the pyridine ring.
Three independent mol-ecules of the title estrone derivative and a mol-ecule of methanol comprise the asymmetric unit of the title compound [systematic name: 13-methyl-6,7,8,9,11,12,13,14,15,16-deca-hydro-cyclo-penta-[a]phenanthren-3-ol-meth-an-ol (3/1)], 3C(18)H(24)O·CH(3)OH. Two of the estrone mol-ecules exhibit 50:50 disorder (one displays whole-mol-ecule disorder and the other partial disorder in the fused five- and six-membered rings) so that five (partial) mol-ecular conformations are discernable. The conformation of the six-membered ring abutting the aromatic ring is close to a half-chair in all five components. The conformation of the six-membered ring fused to the five-membered ring is based on a chair with varying degrees of distortion ranging from minor to significant. Two distinct conformations are found for the five-membered ring: in four mol-ecules, the five-membered ring is twisted about the bond linking it to the six-membered ring, and in the other, the five-membered ring is an envelope with the quaternary C atom being the flap atom. The crystal packing features O-H⋯O hydrogen bonding whereby the four mol-ecules comprising the asymmetric unit are linked into a supra-molecular chain along the b axis.
Two independent mol-ecules comprise the asymmetric unit of the title cholestane derivative, C(29)H(49)NO(3) {systematic name: (3S,8S,9S,10R,13R,14S,17R)-17-[(1R)-1,5-dimethyl-hex-yl]-6-hy-droxy-imino-10,13-dimethyl-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetra-deca-hydro-1H-cyclo-penta-[a]phenanthren-3-yl ace-tate}. The major differences between the mol-ecules relate to the relative orientations of the terminal acetyl [C-C-O-C torsion angles = -158.8 (3) and -81.7 (3)°] and alkyl groups [C-C-C-C = 168.9 (3) and 65.8 (4)°]. In the crystal, the independent mol-ecules associate via pairs of O-H⋯N hydrogen bonds, forming dimeric aggregates. Supra-molecular layers in the ab plane are mediated by C-H⋯O inter-actions.
In the title co-crystal, [Mo(C(14)H(9)ClN(2)O(4))O(2)(CH(3)OH)]·C(10)H(8)N(2), the deprotonated Schiff base O,N,O'-chelates to the Mo(VI) atom, the three atoms involved in chelation comprising the fac sites of the octa-hedron surrounding the methanol-coordinated metal atom. The methanol mol-ecule forms an O-H⋯N hydrogen bond to an N atom of the 4,4'-bipyridine solvent mol-ecule; the hy-droxy group of the Schiff base forms an O-H⋯N hydrogen bond to the other N atom of another mol-ecule. The two hydrogen bonds leading to the formation of a helical chain running along the b axis.
The Mo(VI) atom in the title co-crystal, [Mo(C(14)H(12)N(2)O(4))O(2)(H(2)O)]·0.5C(10)H(8)N(2), is O,N,O'-chelated by the deprotonated Schiff base and coordinated by the oxide and water O atoms in an octa-hedral geometry. The five-membered chelate ring is planar (r.m.s. deviation = 0.019 Å), but the six-membered chelate ring is puckered (r.m.s. deviation = 0.108 Å). Two mononuclear mol-ecules are linked across a center of inversion by an O-H(water)⋯O hydrogen bond; adjacent dinuclear units are linked by an water-4,4'-bipyridine O-H⋯N hydrogen bond, generating a linear chain structure. The 4,4'-bipyridine mol-ecule is disordered over two positions in a 1:1 ratio.
In the title compound, [Mn(C(13)H(8)N(3)O(3))(2)]·C(3)H(7)NO·H(2)O, the metal atom is O,N,O'-chelated by two deprotonated Schiff bases and exists in a distorted octa-hedral geometry. The N-H groups, the carbonyl group of the DMF mol-ecule and the uncoord-inated water mol-ecule engage in N-H⋯O and O-H⋯O hydrogen-bonding inter-actions, generating a hydrogen-bonded ribbon that propagates along [110].
The metal atom of the title compound, [Zn(C(13)H(8)N(3)O(2)S)(2)]·C(3)H(7)NO·H(2)O, is O,N,O'-chelated by two deprotonated Schiff bases and it exists in a distorted octa-hedral geometry. The N-H groups of the ligands, the carbonyl group of the DMF mol-ecule and uncoordinated water mol-ecule engage in N-H⋯O and O-H⋯O inter-actions, generating a hydrogen-bonded ribbon that propagates along [110]. One thienyl ring is disordered over two positions in a 1:1 ratio.
Two independent mol-ecules comprise the asymmetric unit in the title compound, C(11)H(11)N(3). These differ in terms of the relative orientations of the aromatic rings: the first is somewhat twisted, while the second is approximately planar [dihedral angles between the pyrimidine and phenyl rings = 39.00 (8) and 4.59 (11)°]. The mol-ecules also form distinct patterns in their hydrogen bonding. The first independent mol-ecule forms centrosymmetric dimers featuring an eight-membered {HNCN}(2) synthon. The second independent mol-ecule forms an N-H⋯N hydrogen bond with the other pyrimidine N atom of the first mol-ecule. Thereby, tetra-meric aggregates are formed. These associate via C-H⋯N and C-H⋯π inter-actions, consolidating the crystal packing.
In the crystal structure of the title binuclear complex, [Cu(2)(CH(3)COO)(4)(C(13)H(14)N(2))(2)], the four acetate groups each bridge a pair of Cu(II) atoms. The coordination of the metal atoms is distorted square-pyramidal, with the bonding O atoms comprising a square basal plane and the coordinating N atom of the N-heterocycle occupying the apical position. In the two N-hetercycle ligands, the benzene rings are twisted with respect to the pyridine rings, making dihedral angles of 53.1 (2) and 54.2 (2)°. Intra-molecular N-H⋯O hydrogen bonding is present between the imino and carb-oxy groups. The crystal studied was a non-merohedral twin with a minor twin component of 21.4%.
In the title compound, C(13)H(14)N(2), the dihedral angle between the aromatic rings is 48.1 (1)° and the bridging C-N-C bond angle is 127.24 (12)°. In the crystal, intermolecular N-H⋯N hydrogen bonding about a center of inversion generates a hydrogen-bonded dimer.
In the title compound, [Sn(C(6)H(11))(2)(C(19)H(14)N(2)O(3))], the Sn(IV) atom is O,N,O' chelated by the deprotonated Schiff base ligand and exists in a cis-trigonal-bipyramidal environment, completed by the two cyclohexyl ligands.
The Cu(II) atom in the title compound, [Cu(C(7)H(4)IO(2))(2)(C(10)H(8)N(2))(H(2)O)], is N,N'-chelated by a 2,2'-bipyridine ligand and is coordinated by two monodentate carboxyl-ate ions and a water mol-ecule in a distorted square-pyramidal geometry. The apical site is occupied by one of the carboxyl-ate O atoms. The water mol-ecule forms intra-molecular hydrogen bonds to the uncoordinated carboxyl O atoms. The crystal studied was a nonmerohedral twin with minor components in 0.381 (3) and 0.108 (2) proportions.
In the title mol-ecule, C(24)H(20)N(2)O(4), the five-membered oxadiazole ring is nearly planar (r.m.s. deviation = 0.053 Å) and the phenyl ring of the biphenyl unit attached to it forms a dihedral angle of 73.2 (1)°; the other phenyl ring is close to coplanar with the oxadiazole ring [dihedral angle = 6.2 (2)°].
All non-H atoms of the title compound, C(6)H(7)N(3)OS, which exists in the thione form, lie in a common plane (r.m.s. of non-H atoms = 0.08 Å). The amino group of the -NH-NH(2) substituent forms an intra-molecular hydrogen bond to the S atom. The terminal -NH(2) group is pyramidally coordinated; it forms a weak N-H⋯O and a weak N-H⋯S hydrogen bond. Furthermore, the N atom is an acceptor for a C-H⋯N contact. The amino group of the ring is a hydrogen-bond donor to the carbonyl O atom of an adjacent mol-ecule, this inter-action giving rise to a linear chain motif running along the b axis.
In the title compound, C(30)H(36)N(2)O(2)S, the dihedral angle between the two aromatic rings of the biphenyl residue is 31.2 (1)°. The two methyl-ene C atoms subtend an angle of 99.9 (1)° at the S atom. In the crystal, mol-ecules form inversion dimers linked by pairs of N-H⋯O hydrogen bonds. The hydroxyl group is shielded by the tert-butyl residues and is therefore not involved in any hydrogen bonding.
The Schiff base ligand in the title compound, [Sn(C(4)H(9))(2)(C(11)H(12)ClNO(4))], chelates to the Sn atom through the two deprotonated O atoms, as well as through the N atom, to confer an overall cis-C(2)SnNO(2) trigonal-bipyramidal geometry at tin [C-Sn-C = 130.3 (1)°]. The hydr-oxy groups engage in O-H⋯O hydrogen bonding with the O atoms of adjacent mol-ecules, generating a chain running along the c axis.
In the title mol-ecule, C(10)H(13)N(3)O(3)S·2H(2)O, the thio-semi-carbazide =N-NH-C(=S)-NH- fragment [torsion angle = 0.2 (1)°] is nearly coplanar with the benzene ring [dihedral angle = 2.4 (1)°]. The benzene ring and semicarbazide moiety are located on opposite sites of the C=N bond, showing an E configuration. The hy-droxy, imino and water H atoms are engaged in extensive hydrogen bonding, forming a three-dimensional network.