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In the centrosymmetric title compound, [Cd2(C13H12NOS2)4], pairs of dithio­carbamate ligands exhibit different structural functions. Each of the terminal ligands is bidentately coordinated to one CdII atom and forms a planar four-membered CS2Cd chelate ring, whereas pairs of the tridentate bridging ligands link two neighbouring CdII atoms, forming extended eight-membered C2S4Cd2 tricyclic units whose geometry can be approximated by a chair conformation. The coordination polyhedron of the CdII atoms is a distorted square-pyramid. The five-membered furan ring and the benzene ring are disordered over two sets of sites with an occupancy ratio of 0.62 (8):0.38 (8).

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The Ni2+ ion in the title complex, [Ni(C3H5OS2)2(C6H4N2)2], is in a strongly distorted octa­hedral coordination environment formed by an N2S4 donor set, with the Ni2+ ion located on a centre of inversion. In the crystal, weak C—H...S and C—H...N inter­actions are observed.

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In the title complex, [Cd(C6H11N2S2)2(C5H5N)2], the CdII ion is hexa­coordinated by two N atoms from two pyridine ligands and by four S atoms from two dithio­carbamate ligands in a distorted octa­hedral geometry. The CdII ion lies on a twofold axis. The piperazine ring is in chair conformation and its least-squares plane makes a dihedral angle of 81.4 (1)° with that of the pyridine ring.

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The title compound, C9H12ClN4+·Cl, is a natural metabolic product of imidacloprid [systematic name: (E)-1-(6-chloro-3-pyridyl­meth­yl)-N-nitro­imidazolidin-2-yl­idene­amine] and was obtained by the reduction of the latter using Fe in HCl. The dihedral angle between the pyridine and imidazole rings is 62.09 (12)°. The crystal structure is stabilized by N—H...Cl and C—H...Cl inter­actions involving the chloride anion. The pyridine N and the chloride atoms are not involved in inter­molecular inter­actions.

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In the title compound, C8H8N4, the dihedral angle between the tetra­zole and benzene rings is 21.6 (1)°. An inter­molecular C—H...π inter­action is observed.

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In the title compound, C7H4Cl2N4, the dihedral angle between the tetra­zole and benzene rings is 17.2 (2)°. In the crystal, C—H...N inter­actions link the mol­ecules into a flattened helical chain along the b axis.

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In the title compound, C12H14ClN3O3, the imidazole ring adopts a half-chair conformation. The dihedral angle between the pyridine and imidazole rings is 70.0 (1)°. In the crystal, the molecules are linked by C—H...O inter­actions, forming chains parallel to the c axis.

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In the title mol­ecule, C22H24OSi, the Si—O—C angle is 139.79 (11)°, the O—C—C angles of the triphenyl­meth­oxy group are in the range 106.13 (13)–109.22 (14)° and the O—Si—C angles of the trimethyl­sil­yloxy group are in the range 103.08 (10)–113.53 (10)°. In the crystal, face-to-face π–π interactions are observed between the phenyl rings [centroid separation = 4.194 (1) Å, interplanar spacing = 3.474 Å and centroid shift = 2.35 Å]. The three phenyl groups of the triphenyl­methyl substituent are mutually nearly perpendicular, with dihedral angles in the range 80.49 (8)–81.53 (8)°. There are only weak inter­molecular van der Waals inter­actions in the crystal.

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In the title compound, C14H10O2, the tricycle is not planar, being bent with a dihedral angle of 4.7 (1)° between the two benzene rings. In the crystal, π–π inter­actions between the six-membered rings of neighbouring mol­ecules [centroid–centroid distances = 3.580 (3) and 3.605 (3) Å] form stacks propagating along [101].

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In the title compound, C16H16ClNO2S2, the piperidine ring is in a chair conformation. In the coumarin ring system, the dihedral angle between the benzene and pyran rings is 3.5 (1)°. In the crystal, a weak C—H...O hydrogen bond links mol­ecules into chains along [001]. In addition, π–π stacking inter­actions are present involving the benzene and pyran rings, with a centroid-to-centroid distance of 3.712 (2) Å. The crystal studied is a nonmerohedral twin with refined components 0.221 (1) and 0.779 (1).

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In the title compound, [Na(C11H11ClN3O3)(H2O)]n, there are two independent NaI ions, one of which lies on an inversion center and is coordinated in a slightly distorted octa­hedral environment. The other NaI ion lies on a twofold rotation axis and is cooordinated in a slightly distorted trigonal–bipyramidal coordination environment. In the organic ligand, the imidazolidine ring adopts a half-chair conformation. The NaI ions bridge organic ligands and water mol­ecules, forming a two-dimensional structure parallel to (100). There are inter­molecular O—H...O and weak C—H...O hydrogen bonds within the two-dimensional structure.

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In the title compound, C13H16ClN5O4, the imidazole ring is in a slight envelope conformation. The dihedral angle between the pyridine ring and the four essentially planar atoms [maximum deviation 0.015 (2) Å] of the imidazole ring is 80.8 (1)°. In, the crystal, weak C—H...O and C—H...N hydrogen bonds are present. In addition, there are weak π–π stacking inter­actions between symmetry-related pyridine rings with a centroid–centroid distance of 3.807 (1) Å.

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In the title compound, C14H14N2O3, the nitro group is nearly coplanar with the benzene ring to which it is bonded [dihedral angle = 1.70 (2)°], and this ring is para-substituted by the amino­methyl­ene group. The dihedral angle between the benzene rings is 57.8 (1)°. The crystal structure is stabilized by N—H...O and C—H...O hydrogen bonds and weak C—H...π inter­actions are also observed.

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The asymmetric unit of the title compound, C14H16ClNO, contains two independent mol­ecules, both with the cyclo­hexene ring in a sofa conformation. In the crystal, N—H...O hydrogen bonds link the mol­ecules related by translation along the a axis into two crystallographically independent chains. Weak C—H...π inter­actions are also observed.

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In the title compound, C19H17NO3S2, the morpholine ring is in a chair conformation. In the coumarin ring system, the dihedral angle between the benzene and pyran rings is 3.9 (1)°. In the crystal, weak C—H...O inter­actions link the mol­ecules into corrugated layers parallel to (102). The crystal packing also exhibits π–π inter­actions, with distances of 3.644 (1) and 3.677 (1) Å between the centroids of the benzene rings of neighbouring mol­ecules.

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In the title compound, C11H12O2, the dihedral angle between the benzene ring and the but-3-en-2-one group is 4.04 (5)°. The crystal packing features chains, parallel to [-101], composed of dimers connected by weak C—H...O inter­actions..

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In the title 1:1 co-crystal, C10H7BrN4S·C7H5BrO2, the triazolothia­diazole system is approximately planar [with a maximum deviation of 0.030 (4) Å] and forms a dihedral angle of 8.6 (1)° with the bromo­phenyl ring. In the carb­oxy­lic acid mol­ecule, the carboxyl group is rotated by 6.4 (3)° out of the benzene ring plane. The crystal structure features O—H...N and C—H...O hydrogen bonds, π–π stacking inter­actions [centroid–centroid distances = 3.713 (2), 3.670 (2) and 3.859 (3) Å] and short S...N [2.883 (4) Å] contacts.

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There are two independent mol­ecules in the asymmetric unit of the title compound, C7H5ClN4, in which the tetra­zole and benzene rings are twisted by dihedral angles of 12.9 (1) and 39.8 (1)°. In the crystal, the independent mol­ecules are connected into a tetra­mer by C—H...N hydrogen bonds, generating an R44(12) graph-set motif.

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There are two independent mol­ecules in the asymmetric unit of the title compound, C10H9NO3, in both of which, all non-H atoms except for the methyl C atom lie nearly in the same plane [maximum deviations = 0.094 (3) and 0.043 (2) Å]. In the crystal, each independent mol­ecules is linked by pairs of C—H...O inter­actions, generating inversion dimers with R22(10) ring motifs.

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The asymmetric unit of the title compound, C15H17NO2, contains two independent mol­ecules in which the dihedral angles between the pyrrole and benzene rings are 42.43 (9) and 45.70 (9)°. In both mol­ecules, the but­oxy chains are disordered over two sets of sites, with occupancy ratios of 0.701 (7):0.299 (7) and 0.869 (4):0.131 (4). Each mol­ecule forms a dimer with an inversion-related mol­ecule, through a pair of N—H...O hydrogen bonds. Weak C—H...O inter­actions link these dimers in the crystal structure.

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In the title mol­ecule, C9H10ClN3O, the dihedral angle between the pyridine ring and imidazoline ring mean plane [maximum deviation = 0.031–(3) Å] is 76.2 (1)°. In the crystal, N—H...O hydrogen bonds link pairs of mol­ecules to form inversion dimers. In addition, weak C—H...N hydrogen bonds and π–π stacking inter­actions between pyridine rings [centroid–centroid distance = 3.977 (2) Å] are observed.

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In the title compound, C8H7ClO2, the carboxyl group forms a dihedral angle of 74.83 (9)° with the benzene ring plane. In the crystal, mol­ecules are linked into inversion dimers by pairs of O—H...O hydrogen bonds. The dimers are linked into layers parallel to the bc plane by weak C—H...O inter­actions.

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In the title mol­ecule, C11H8FNO, the dihedral angle between the pyrrole and benzene rings is 49.16 (6)°. In the crystal, adjacent mol­ecules are linked by pairs of N—H...O hydrogen bonds, forming inversion dimers.

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In the title mol­ecule, C21H14BrFN4O4, the mean planes of the two nitro groups form dihedral angles of 3.1 (2) and 7.1 (5)° with the benzene ring to which they are attached. The dinitro-substituted ring forms dihedral angles of 8.6 (2) and 71.9 (2)° with the bromo- and fluoro-substituted benzene rings, respectively. The dihedral angle between the bromo- and fluoro-substituted benzene rings is 80.6 (2)°. There is an intra­molecular N—H...O hydrogen bond. In the crystal, pairs of weak C—H...O hydrogen bonds form inversion dimers. In addition, π–π stacking inter­actions between the bromo- and dinitro-substituted rings [centroid–centroid separation = 3.768 (2) Å] are observed.

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In the title compound, C29H22F2O2S, the central benzene ring makes dihedral angles of 45.83 (7), 38.90 (7) and 55.50 (7)° with the two fluoro-substituted benzene rings and the methyl­sulfanyl-substituted benzene ring, respectively. In the crystal, C—H...O contacts connect the mol­ecules into layers lying perpendicular to the c axis. In addition, π–π stacking inter­actions between one of the fluoro­phenyl groups [centroid–centroid distances = 3.681 (1) and 3.818 (1) Å] are observed.

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In the title compound, C35H32N4O4, the pyrazole ring forms a dihedral angle of 15.04 (8)° with the adjacent pyrimidine ring. The pyrimidine ring forms dihedral angles of 9.95 (8) and 1.86 (7)° with its adjacent meth­oxy-substituted benzene rings, whereas the equivalent angles are 80.24 (9) and 11.55 (9)° for the pyrazole ring and its adjacent benzene rings. The crystal packing features π–π inter­actions, the centroid–centroid distance between the pyrimidine and methoxyphenyl rings being 3.604 (1) Å. The pyrazole ring is nearly planar, with a maximum deviation of 0.020 (3) Å for the –CH2– carbon.

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In the title compound, C17H17NO4, the dihedral angle between the two aromatic rings is 59.64 (5)°. The (meth­oxy­imino)­ethanoic acid fragment is nearly perpendicular to the attached benzene ring [dihedral angle = 81.07 (4)°]. In the crystal, pairs of O—H...O hydrogen bonds between carb­oxy groups link mol­ecules into inversion dimers. In addition, π–π stacking inter­actions between inversion-related benzene rings are observed [centroid–centroid distance = 3.702 (1) Å].

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In the title mol­ecule, C17H19N3O3, the dihedral angle between the two benzene rings is 57.17 (5)°. In the crystal, N—H...O and N—H...N hydrogen bonds connect mol­ecules to form chains along [001]. In addition, a weak C—H...π inter­action is observed.

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The asymmetric unit of the title compound, C19H19ClO4, contains two independent mol­ecules. The dihedral angles between the benzene rings are 63.41 (8) and 61.41 (9)°. Adjacent mol­ecules of different types are inter­connected in pairs through π–π inter­actions between their central benzene rings [centroid–centroid separation = 3.801 (2) Å, inter­planar spacing = 3.605 (2) Å, centroid shift = 1.204 (2) Å]. Finally, C—H...O hydrogen bonds link these dimers into bilayers parallel to (100).

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In the title compound, C22H23BrN4O4S2, the benzene rings bridged by the sulfonamide group are tilted relative to each other by 68.9 (1)° and the dihedral angle between the sulfur-bridged pyrimidine and benzene rings is 69.7 (1)°. The mol­ecular conformation is stabilized by a weak intra­molecular π–π stacking inter­action between the pyrimidine and the 4-methylbenzene rings [centroid–centroid distance = 3.934 (2) Å]. The morpholine ring adopts a chair conformation and is disordered over two positions with an occupancy ratio of 0.853 (6):0.147 (6). In the crystal, mol­ecules are linked by N—H...O hydrogen bonds into chains extending along the a axis and further, through C—H...N and C—H...O inter­actions, into a three-dimensional supramolecular structure.

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In the title mol­ecule, C19H20N2O2, the cyclo­hexene ring adopts a sofa conformation, while the pyran ring adopts a flattened boat conformation. In the crystal, mol­ecules are linked by N—H...N and N—H...O hydrogen bonds, forming a two-dimensional network parallel to (010).

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The title mol­ecule, C18H24O12, has crystallographic 2/m symmetry with two acetate group located on a mirror plane. The H—Csp3—O—Csp2 torsion angles characterizing orientation of the acetyl groups with respect to the cyclo­hexane ring are 0.0, 23.9 and −23.9°. The cyclo­hexane ring is in a chair conformation with all substituents in equatorial positions. In the crystal, mol­ecules are connected through C—H...O hydrogen bonds into a chain extending along the c axis.

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In the title compound, C17H19NO3, 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 atoms of the hy­droxy group in the major component are disordered over a further two sets of sites with equal occupancies. This is a necessary arrangement to allow for hydrogen bonding without unrealistic H...H contacts. In the crystal, O—H...N and O—H...O hydrogen bonds connect mol­ecules into chains along [001].

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In the title compound, C25H29BrN4O3S2, the benzene rings bridged by the sulfonamide group are tilted relative to each other by 63.9 (1)° and the dihedral angle between the sulfur-bridged pyrimidine and benzene rings is 64.9 (1)°. The mol­ecular conformation is stabilized by a weak intra­molecular π–π stacking inter­action between the pyrimidine and the 2,4,6-trimethyl­benzene rings [centroid–centroid distance = 3.766 (2) Å]. The piperidine ring adopts a chair conformation. In the crystal, mol­ecules are linked into inversion dimers by pairs of N—H...O hydrogen bonds and these dimers are further linked by C—H...O hydrogen bonds into chains propagating along [010].

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In the title compound, C21H20BrClN4O4S2, the benzene rings bridged by the sulfonamide group are tilted relative to each other by a dihedral angle of 70.2 (1)° and the dihedral angle between the sulfur-bridged pyrimidine and benzene rings is 69.5 (1)°. The mol­ecular conformation is stabilized by a weak intra­molecular π–π stacking inter­action between the pyrimidine and the 4-chloro­benzene rings [centroid–centroid distance = 3.978 (2) Å]. The morpholine ring adopts a chair conformation. In the crystal, mol­ecules are linked into inversion dimers by pairs of C—H...N hydrogen bonds and these dimers are further connected by N—H...O hydrogen bonds, forming a tape along the a axis.

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In the title compound, C23H25BrN4O3S2, the benzene rings bridged by the sulfonamide group are tilted relative to each other by 69.7 (1)° and the dihedral angle between the sulfur-bridged pyrimidine and benzene rings is 70.4 (1)°. The mol­ecular conformation is stabilized by a weak intra­molecular π–π stacking inter­action between the pyrimidine and the 4-methyl benzene rings [centroid–centroid distance = 3.633 (2) Å]. The piperidine ring adopts a chair conformation. In the crystal, mol­ecules are linked into inversion dimers by pairs of N—H...O hydrogen bonds.

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In the title compound, C18H18ClN5O3, the hydrazinecarboxamide N—N—C(O)—N unit is nearly planar [maximum deviation = 0.074 (2) Å] and is inclined at a dihedral angle of 57.43 (7)° with respect to the plane of the attached benzene ring. The chloro­phenyl group makes dihedral angles of 19.71 (7) and 34.07 (6)° with the pyrazole and benzene rings, respectively. In the crystal, pairs of N—H...O hydrogen bonds link the mol­ecules into inversion dimers that are further linked into chains along the a-axis direction by N—H...N hydrogen bonds. In addition, π–π stacking inter­actions are observed between benzene rings [centroid–centroid distance = 3.680 (1) Å].

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There are two independent mol­ecules in the asymmetric unit of the title compound, C21H18BrFO3, in which the dihedral angles between the fluoro­phenyl and bromo­phenyl groups are 77.0 (1) and 85.8 (1)°. In one of the mol­ecules, two methine C—H groups of the cyclo­hexene ring are disordered over two sets of sites in a 0.53 (2):0.47 (2) ratio. In both mol­ecules, the atoms of the ethyl group were refined as disordered over two sets of sites with occupancies of 0.67 (2):0.33 (2) and 0.63 (4):0.37 (4). The cyclo­hexene rings have slightly distorted sofa conformations in both mol­ecules. In the crystal, C—H...O inter­actions link mol­ecules into chains along the b axis.

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The asymmetric unit of the title compound, C19H16N2O3, contains two independent mol­ecules in which the dihedral angles between the naphthalene ring system and the benzene ring are 10.0 (1) and 35.3 (1)°. In the crystal, mol­ecules are linked by N—H...O and O—H...O hydrogen bonds, forming a two-dimensional framework parallel to (001). Weak C—H...O and C—H...N hydrogen bonds complete a three-dimensional network.

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In the title mol­ecule, C25H23N3O2, the pyrazole ring forms dihedral angles of 28.56 (7), 80.35 (7) and 31.99 (7)° with the phenyl ring, the p-tolyl ring and the p-tolyl­amino ring, respectively. The N—H group attached to the exocyclic C=C bond is in a syn arrangement with respect to the C=O bond of the pyrazolone group and an intra­molecular N—H...O hydrogen bond is observed. In the crystal, weak C—H...π inter­actions link mol­ecules along [100].

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In the title compound, C24H27BrN4O4S2, the mol­ecule is twisted at the sulfonyl S atom with a C—S(O2)—N(H)—C torsion angle of 62.6 (3)°. The benzene rings bridged by the sulfonamide group are tilted to each other by a dihedral angle of 60.6 (1)°. The dihedral angle between the sulfur-bridged pyrimidine and benzene rings is 62.7 (1)°. The morpholine ring adopts a chair conformation. The mol­ecular conformation is stabilized by a weak intra­molecular π–π stacking inter­action between the pyrimidine and the 2,4,6-trimethyl­benzene rings [centroid–centroid distance = 3.793 (2) Å]. In the crystal, mol­ecules are linked by N—H...O hydrogen bonds into a chain along the b axis.

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In the title compound, C14H12ClNO2, the mean plane through the amide group [–N—C=O–] forms dihedral angles of 27.55 (8) and 31.94 (7)° with the meth­oxy- and chloro-substituted benzene rings, respectively. The dihedral angle between the benzene rings is 59.24 (4)°. In the crystal, N—H...O and weak C—H...O hydrogen bonds link the mol­ecules into chains along the a axis.

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In the title compound, C8H10ClN3O2S, the oxadiazinane ring is in a sofa conformation with the ring O atom deviating from the best plane of the remaining five atoms by 0.636 (2) Å. A short intra­molecular C-S...O=C contact [S...O 3.122 (2) Å, C—S...O 80.0 (2)°] is observed between the two mol­ecular fragments bridged by the methyl­ene group. In the crystal, C—H...O hydrogen bonds link mol­ecules, forming chains along the b axis.

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In the title compound, C11H12FNO, the dihedral angle between the prop-2-en-1-one group and the benzene ring is 19.33 (6)°. The configuration of the keto group with respect to the olefinic double bond is s-cis. In the crystal, the mol­ecules form dimers through aromatic π–π stacking inter­actions [centroid–centroid distance = 3.667 (1) Å] and are linked via C—H...O inter­actions into chains along the b axis.

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In the title compound, C7H10N2O2, the dimethyl­amino group is twisted slightly relative to the acrylate fragment, forming a dihedral angle of 11.6 (1)°. In the crystal, molecules are linked via pairs of bifurcated C—H/H...O hydrogen bonds, forming inversion dimers, which are further connected by C—H...N hydrogen bonds into chains along the a-axis direction.

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The title mol­ecule, C17H14F3NO4, consists of two nearly planar fragments, viz. the 2-benzyl­oxypyridine (r.m.s. deviation 0.016 Å) and (E)-3-meth­oxy­prop2-enoic (r.m.s. deviation 0.004 Å) units, which form a dihedral angle of 84.19 (7)°. In the crystal, pairs of O—H...O hydrogen bonds link mol­ecules into dimers that are further connected by C—H...O and C—H...F inter­actions into (001) layers. In addition, π–π stacking inter­actions are observed within a layer between the pyridine and benzene rings [centroid–centroid distance = 3.768 (2) Å]. The F atoms of the trifluoro­methyl group are disordered over two sets of sites in a 0.53 (4):0.47 (4) ratio.

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The title compound, C22H23BrN4O3S2, crystallizes with two mol­ecules, A and B, in the asymmetric unit. In one of these, the meth­oxy group is disordered over two sets of sites in a 0.565 (9):0.435 (9) ratio. The benzene rings bridged by the sulfonamide group are tilted relative to each other by 37.4 (1) and 56.1 (1)° in mol­ecules A and B, respectively, while the dihedral angles between the sulfur-bridged pyrimidine and benzene rings are 72.4 (1) and 70.2 (1)° for A and B, respectively. The piperidine ring adopts a chair conformation in both mol­ecules. In the crystal, inversion dimers linked by pairs of N—H...N hydrogen bonds occur for both A and B; the dimers are linked into [010] chains by C—H...O hydrogen bonds. The crystal structure also features inversion-generated aromatic π–π stacking inter­actions between the pyrimidine rings for both mol­ecules [centroid–centroid distances = 3.412 (2) (mol­ecule A) and 3.396 (2) Å (mol­ecule B)].
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