The title compound, C(6)HCl(6)N, lies on a mirror plane, the asymmetric unit conataining a half-mol-ecule. Weak intra-molecular C-H⋯Cl contacts are observed.

The asymmetric unit of the title compound, C(23)H(18)N(2)O(3)S, contains two mol-ecules with comparable geometries. In one mol-ecule, the pyrazole ring forms dihedral angles of 61.65 (11), 47.88 (11) and 63.20 (14)° with the three benzene rings. The corresponding values for the other mol-ecule are 77.19 (11), 43.55 (11) and 63.56 (15)°. In the crystal, both mol-ecules ...

The Cu(II) atoms in the title coordination polymer, {[Cu(C(13)H(11)N(4)O)(C(2)N(3))]·H(2)O}(n), are N,N',O-chelated by the deprotonated Schiff base ligands, and adjacent metal atoms are bridged by the dicyanamide ions, generating a polymeric chain that propagates along the b axis. The two independent metal atoms show a square-pyramidal N(4)O coordination. The two independent ...

The title compound, C(21)H(17)NO(2), exists in an E conformation with respect to the C=C bond. The pyridine ring forms dihedral angles of 5.57 (7) and 82.30 (9)°, respectively, with the central benzene ring and the terminal phenyl ring. The dihedral angle between the benzene and phenyl rings is 87.69 (8)°. No significant inter-molecular ...

In the title compound, C(16)H(13)BrN(4)O(4)S, the dihedral angle between the aromatic rings is 4.1 (2)° and the C=N-N=C torsion angle is 175.5 (3)°. The nitro group is almost coplanar with the benzene ring to which it is attached [dihedral angle = 2.9 (7)°]. The thia-zine ring has an S-envelope conformation with the S ...

The title salt, (C(12)H(12)N(4)O(2))[ReCl(6)], consists of 2,2'-[(1E,2E)-1,2-bis-(hy-droxy-imino)-ethane-1,2-di-yl]dipyridinium cations and [ReCl(6)](2-) anions which are both located on inversion centres. Each cation consists of a glyoxime moiety attached to two protonated pyridine rings in ortho positions. In the crystal, E,E isomers of the cation are observed which differ in the spatial arrangement ...

The title compound, C(17)H(15)Br(2)NO(6)S(2)·C(2)H(5)OH, is the esterification reaction product of 2-(8,10-dibromo-2,6-dioxo-3,5,5a,11b-tetra-hydro-2H,6H-chromeno[4',3':4,5]thio-pyrano[2,3-d]thia-zol-5a-yl)acetic acid. Cleavage of the lactone ring and formation of eth-oxy-carbonyl and hy-droxy groups from its structural elements were observed. On the other hand, the carb-oxy-methyl group was not esterified. The H atom and carb-oxy-methyl group, both at stereogenic centres, ...

In the title compound {systematic name: (1R,2R,5R,7R,10R,11R,14S,15R)-14-[(2S)-2-hy-droxy-6-methyl-hept-5-en-2-yl]-2,6,6,10,11-penta-methyl-tetra-cyclo-[8.7.0.0(2,7).0(11,15)]hepta-decan-5-ol monohydrate}, C(30)H(52)O(2)·H(2)O, the three fused cyclo-hexane rings adopt chair conformations and the hy-droxy substituent of one of these occupies an axial position. The fused cyclo-pentane ring adopts an envelope conformation (with the flap atom being the C atom bearing the methyl group) and ...

In the cation of the title compound, C(18)H(23)N(2) (+)·C(7)H(7)O(4)S(-)·H(2)O, one ethyl group of the diethyl-amino unit is disordered over two sets of sites in a 0.665 (6):0.335 (6) ratio. The styrylpyridinium unit is nearly planar, with a dihedral angle between the pyridinium and benzene rings of 4.27 (8)°. In the crystal, the anion ...

In the title compound, C(29)H(27)ClN(4)O(2), the six-membered ring of the pyridazine group is nearly planar [maximum deviation = -0.062 (2) Å] and its mean plane makes dihedral angles of 43.05 (9), 44.71 (10) and 72.57 (9)°, respectively, with the two phenyl and benzene rings. The piperazine ring has a chair conformation and its mean plane ...

The title compound, C(24)H(27)N(2)Si(+)·Br(-)·H(2)O, was synthesized from 1-(dimethyl-phenyl-silylmeth-yl)-1H-benzimidazole and (2-bromo-eth-yl)benzene in dimethyl-formamide. The benzimidazole ring system is nearly planar, with a maximum deviation of 0.015 (5) Å, and forms dihedral angles of 73.0 (3) and 39.6 (2)°, with the phenyl rings. In the crystal, mol-ecules are linked by O-H⋯Br, C-H⋯Br and C-H⋯O hydrogen bonds. ...

In the title compound, {[Mg(C(8)H(6)FO(3))(2)(H(2)O)(2)]·0.4H(2)O}(n), slightly distorted octa-hedral MgO(6) complex units have crystallographic inversion symmetry, the coordination polyhedron comprising two trans-related water mol-ecules and four carboxyl O-atom donors, two of which are bridging. Within the two-dimensional complex polymer which is parallel to (100), coordinating water mol-ecules form inter-molecular O-H⋯O hydrogen ...

The title compound, C(13)H(10)FN(3)O·H(2)O, exists in the E conformation with respect to the azomethane C=N double bond. The mol-ecule is close to planar with a maximum deviation of 0.286 (2) Å. The pyridine ring is essentially coplanar with the central C(= O)N(2)C unit [dihedral angle = 2.02 (3)°] and the phenyl ring exhibits ...

In the title compound, [Ag(2)(C(10)H(6)NO(2))(2)](n), the Ag(I) atom is coordinated by one N atom and two O atoms from three quinoline-3-carboxyl-ate ligands in a T-shaped fashion, with an additional Ag⋯Ag distance of 2.9468 (6) Å. The ligands connect the Ag(I) atoms into a double-chain structure along [010]. Weak Ag⋯O inter-actions [Ag⋯O = ...

The present work sought to determine whether preadolescent exposure to a different task in the same spatial environment would lead to enhancement of water-maze performance and changes in hippocampal connectivity. Separate groups of preadolescent (p16-p26) Long Evans rats (LER) were exposed to the same room and arena using either a ...

In the cation of the title salt, C(18)H(23)N(2) (+)·C(24)H(20)B(-), the pyridine ring forms a dihedral angle of 14.23 (6)° with the benzene ring. One of the ethyl groups of the cation was refined as disordered over two sets of sites with equal occupancies.

The title compound, C(19)H(18)N(4)O(4)S, exists as a zwitterion in the solid state, with nominal proton transfer from a phenol group to the imine N atom. The 2,3-dihy-droxy-benzaldehyde fragment is oriented at a dihedral angle of 35.51 (11)° to the adajacent aniline group and makes a dihedral angle of 76.99 (6)° with the ...

In the title compound, C(16)H(16)BrNO, the dihedral angle between the benzene rings is 69.8 (2)°. In the crystal, N-H⋯O hydrogen bonds link the mol-ecules into C(4) chains propagating in [100]. Adjacent mol-ecules in the chains are also linked by C-H⋯O inter-actions which, along with the N-H⋯O hydrogen bonds, generate R(2) (1)(6) ...

The asymmetric unit of the title compound, C(14)H(20)Br(2)O(2), contains one half-mol-ecule located on an inversion centre. The mol-ecule is essentially planar, with a maximum deviation from the best plane of the non-H atoms of 0.054 (2) Å for the O atoms. The but-oxy group adopts a fully extended all-trans conformation. In the ...

In the title salt, C(12)H(18)NO(+)·Cl(-), N-H⋯Cl inter-actions between the free chloride anions and the organic cations connect the mol-ecules into hydrogen-bond dimers, forming a R(2) (2)(8) motif. The dimers are linked by C-H⋯O hydrogen bonds into chains extending along [301]. The carbonyl group is co-planar with the phenyl ring [C-C-C=O ...

The title compound, C(25)H(27)N(3)O(8)·C(4)H(8)O(2), has a diterpene skeleton in which the fused cyclo-hexane rings exhibit chair and half-chair conformations. An intra-molecular C-H⋯O hydrogen bond occurs. In the crystal, N-H⋯O, O-H⋯O and C-H⋯O hydrogen bonds are observed.

In the title mol-ecule, C(8)H(10)N(2)O(2), there is an intra-molecular hydrogen bond involving the hy-droxy group and the O atom of the carbonyl group. The dihedral angle between the benzene ring and the amide fragment is 87.16 (10)°. The C-N-N-C torsion angle is 88.87 (18)°. In the crystal, N-H⋯N and N-H⋯O hydrogen bonds ...

In the title compound, C(20)H(21)N(3)O(2)S, the 2,3-dihydro-1H-pyrazole ring is nearly planar (r.m.s. deviation = 0.023 Å) and forms dihedral angles of 16.96 (6) and 38.93 (6)° with the benzene and phenyl rings, respectively. The dihedral angle between the benzene and phenyl rings is 55.54 (6)°. The mol-ecular conformation is consolidated by an intra-molecular C-H⋯O ...

The title mol-ecule, C(10)H(9)NO, is almost planar with an r.m.s. deviation for all non-H atoms of 0.0115 Å. In the crystal, mol-ecules are connected through N-H⋯O hydrogen bonds into chains running along [021]. The chains are further connected via C-H⋯π inter-actions, forming layers in the bc plane.

The title compound, C(13)H(8)Br(2)ClNO(3)S, exhibits whole-mol-ecule disorder over two orientations in a 0.805 (6):0.195 (6) ratio. The dihedral angles between the thio-phene ring [maximum deviations = 0.017 (4) and 0.033 (9) Å for the major and minor components, respectively] and the chloro-substituted phenyl ring are 32.1 (5) (major component) and 26.3 (18)° (minor component). In the crystal, ...

The title co-crystal, C(9)H(9)NO(2)·C(6)H(6)O(2), is composed of one 2,6-diacetyl-pyridine mol-ecule and one resorcinol mol-ecule as the asymmetric unit. In the 2,6-diacetyl-pyridine mol-ecule, the two carbonyl groups are anti-periplanar to the pyridine N atom. In the crystal, the 2,6-diacetyl-pyridine and resorcinol mol-ecules are connected by two O-H⋯O hydrogen bonds, forming planar ...

In the title compound, C(6)H(4)N(4)S, the planar mol-ecule lies across a crystallographic mirror plane. In the crystal, the mol-ecules form centrosymmetric dimers through cyclic amino N-H⋯N hydrogen-bonding associations with cyano N-atom acceptors [graph set R(2) (2)(12)] and these dimers are extended through amine-cyano N-H⋯N associations into a three-dimensional network.

The P atom in the title mol-ecule, C(15)H(20)F(2)N(3)O(2)P, is in a distorted tetra-hedral P(O)(N)(N)(2) environment. The phosphoryl group and the NH unit adopt a syn orientation with respect to each other. An F atom at position 2 and an H atom at position 6 are found to occupy similar sites ...

In the title compound, C(11)H(9)ClN(2)OS, the thia-zole ring is nearly planar (r.m.s. deviation = 0.003 Å) and forms a dihedral angle of 64.18 (7)° with the bezene ring. In the crystal, inversion dimers linked by pairs of N-H⋯N(t) (t = thia-zole) hydrogen bonds generate R(2) (2)(8) loops.

The title compound, [Ru(2)(C(22)H(34)Si(2))(CO)(4)], contains two Ru(I) atoms linked by a bridging (η(5)-(t)BuC(5)H(2))(2)(SiMe(2))(2) ligand ((t)Bu is a tert-butyl and Me is a methyl group) with an Ru-Ru bond length of 2.8401 (7) Å. The dihedral angle between the planes of the cyclo-penta-dienyl rings of the ligand is 123.13 (19)°. The four terminal carbonyl ...

In the title mol-ecule, C(10)H(17)PSe, the P atom has a distorted tetra-hedral environment resulting in an effective cone angle of 165°. The benzene ring makes dihedral angles of 70.04 (8) and 77.28 (8)° with the phenyl rings, while the dihedral angle between the phenyl rings is 62.95 (8)°. In the crystal, mol-ecules are ...

In the asymmetric unit of the title compound, C(14)H(11)N(5)O(6), there are three crystallographically independent mol-ecules with similar conformations but some differences in bond angles. The mol-ecules are slightly twisted with the dihedral angles between the benzene rings being 10.02 (14), 8.41 (15) and 1.40 (14)°. In each mol-ecule, an intra-molecular N-H⋯O hydrogen bond ...

The asymmetric unit of the title compound, C(6)H(11)N(3)O, consists of two independent mol-ecules in which the cyclo-pentane rings adopt envelope conformations with CH(2) grouping as the flap and the semicarbazone groups are essentially planar, with maximums deviation of 0.0311 (12) and 0.0285 (12) Å. In the crystal, N-H⋯O, N-H⋯N and C-H⋯O hydrogen bonds ...

The mol-ecule of the title compound, C(12)H(14)Cl(2)O(2), lies about an inversion center. The six-membered ring is almost planar, with the largest deviation from the least-squares plane being 0.014 (4) Å. The mol-ecular conformation is stabilized by a weak intra-molecular C-H⋯O hydrogen bond. In the crystal, mol-ecules are packed into stacks along the ...

In the title compound, C(19)H(20)N(2)O(6), the azomethine [C=N = 1.269 (2) Å] double bond adopts an E conformation and the dihedral angle between the planes of the benzene rings is 17.41 (11)°. In the crystal, inversion dimers linked by pairs of N-H⋯O hydrogen bonds generate R(2) (2)(16) loops. The dimers are connected by ...

The asymmetric unit of the title compound, C(16)H(14)ClN(3)OS, contains two independent mol-ecules (A and B) linked into dimers via N-H⋯N hydrogen bonds. The 1,3-benzothia-zol-2-yl ring system and the benzene ring form dihedral angles of 17.08 (8) and 8.63 (7)° in mol-ecules A and B, respectively.

In the title compound, C(14)H(11)IN(2)O(3)·CH(4)O, the dihedral angle between the benzene rings is 33.2 (3)°. The mol-ecule displays trans and anti conformations about the C=N and N-N bonds, respectively. There is an intra-molecular O-H⋯N(azomethine) hydrogen bond. Inter-molecular N-H⋯O and O-H⋯O hydrogen bonds consolidate mol-ecules into a three-dimensional architecture.

In the title compound, {[NiWO(4)(C(16)H(36)N(4))]·4H(2)O}(n), the Ni(II) ion lies on an inversion center and is octahedrally coordinated by four N atoms of the tetradentate macrocyclic 5,5,7,12,12,14-hexa-methyl-1,4,8,11-tetra-aza-cyclo-tetra-decane (L) ligand in the equatorial plane and two O atoms of [WO(4)](2-) anions in axial positions. Each [WO(4)](2-) anion bridges two adjacent [NiL](2+) cations, ...

The asymmetric unit of the title compound, C(4)H(5)N(7), comprises two independent but virtually superimposable mol-ecules. Each mol-ecule is planar with the dihedral angles between the five-membered rings being 2.8 (3) and 2.1 (3)°. The crystal structure is formed by an extensive network of relatively strong N-H⋯N hydrogen-bond inter-actions. Individual mol-ecules are arranged ...

In the title compound, C(12)H(10)N(2)O(3)S, the dihedral angle between the benzene and thio-phene rings is 43.17 (4)°. The crystal structure is devoid of any hydrogen-bonding inter-actions. However, π-π inter-actions between the benzene and thio-phene rings [distance between ring centroids = 3.6850 (11) Å] stack the mol-ecules along the a axis. The absolute structure ...

In the title complex, [PtBr(2)(C(11)H(9)N)(2)], the Pt(II) ion has a distorted cis-Br(2)N(2) square-planar coordination geometry defined by two N atoms from two 2-phenyl-pyridine (ppy) ligands and two Br(-) anions. The ppy ligands are not planar, the dihedral angles between the pyridine and benzene rings being 49.0 (3) and 47.3 (3)°. In the ...

In the title compound, C(20)H(18)ClN(3), the cyclo-octene ring exhibits conformational disorder of two methyl-ene groups with a site-occupation factor of 0.859 (6) for the major occupied site. In the crystal, mol-ecules are connected into inversion dimers via pairs of weak N-H⋯N hydrogen bonds, forming an R(2) (2)(12) graph-set motif. These dimers ...

The asymmetric unit of the title compound, [Cu(C(21)H(24)N(2)O(2))]·H(2)O, comprises half of a Schiff base complex and half of a water mol-ecule. The whole compound is generated by crystallographic twofold rotation symmetry. The geometry around the Cu(II) atom, located on a twofold axis, is distorted square-planar, which is supported by the ...

In the title salt adduct, C(17)H(21)ClN(2) (2+)·2C(2)Cl(3)O(2) (-)·C(2)HCl(3)O(2), the Cl atom of the dication is disordered over two positions in a 0.915 (3):0.085 (3) ratio. The Cl atoms in the trichloroacetate anions and trichloroacetic acid molecule are also disordered, with refined site-occupation factors of 0.59 (3):0.41 (3), 0.503 (12):0.417 (12) and 0.653 (12):0.347 (12). The piperazine ring adopts ...

In the title compound, C(17)H(19)NO(3), the dihedral angle between the benzene rings is 68.0 (1)°. The C-O-C-C torsion angle of the atoms joining these rings is 179.7 (2)°. The atoms of the methanol group were refined as disordered over two sets of sites with fixed occupancies of 0.86 and 0.14. The H ...

The asymmetric unit of the title compound, C(20)H(24)N(2)OS, consists of two crystallographically independent mol-ecules. In each mol-ecule, an intra-molecular N-H⋯O hydrogen bond forms an S(6) ring motif. The dihedral angles between the terminal benzene rings in the two mol-ecules are 75.52 (7) and 42.80 (7)°. In the crystal, inter-molecular N-H⋯S inter-actions link ...

In the title compound, [Cu(C(8)H(8)NO(3))(2)], the nearly planar mol-ecule (r.m.s. deviation = 0.037 Å) is centrosymmetric with the Cu(II) atom lying on an inversion center. The Cu(II) atom is tetra-coordinated, displaying a slightly distorted square-planar geometry. The main deviation from the ideal geometry is seen in the differences in the Cu-O ...

In the title compound, [Ag(3)(C(12)H(12)N(2)O(2))(4)](PF(6))(3), one Ag(I) ion, lying on a twofold rotation axis, is coordinated by four N atoms from four 1,3-bis-(4,5-dihydro-1,3-oxazol-2-yl)benzene (L) ligands in a distorted tetra-hedral geometry and the other Ag(I) ion is coordinated by two N atoms from two L ligands in a bent arrangement [N-Ag-N ...

The Ag(I) atom in the polycationic salt, {[Ag(C(11)H(11)N(3)O)]NO(3)}(n), shows a linear coordination [N-Ag-N = 175.0 (2)°]; the polymeric nature arises from bridging by the pyrazine portion of the ligand, resulting in chains extending parallel to [100]. The NO(3) (-) counter-ions surround the polymeric chain and inter-act only weakly with it [Ag⋯O ...

The title compound C(20)H(20)O(4)S, is polymorphic. In the tetra-gonal form, the mol-ecule lies on a crystallographic twofold axis, while the monoclinic form has only approximate C(2) mol-ecular symmetry. The greatest excursion from C(2) symmetry is in the orientation of the two phenyl rings; at 100 K, one of the rings is ...