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In the title spiro compound, C29H24N4S, the quinoxaline and thiadiazole ring systems share a common C atom; their mean planes are aligned at 87.0 (1)° in one molecule and at 84.1 (1)° in the other independent molecule. The thiazole ring possesses two aromatic ring substituents and is roughly coplanar with these rings [the dihedral angles between the thiadiazole and phenyl rings are 10.7 (1) and 11.7 (1)° in one molecule, and 16.8 (1) and 17.7 (1)° in the other]. The aromatic ring of the benzyl unit of one molecule is disordered over two orientations in a 1:1 ratio.
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The asymmetric unit of the title compound, C18H18N2O2, contains three independent molecules. In each, the seven-membered diazepine ring adopts a boat conformation with the hydroxy-substituted C atom at the prow and fused-ring C atoms at the stern. In the crystal, the molecules are linked by O—HO and N—HO hydrogen bonds. The allyl group of one molecule is equally disordered over two positions.
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The nine-membered fused-ring of the title compound, C10H13N5O2, is approximately planar [maximum deviation = 0.012 (1) Å]; the bond angle at the methylene C atom is 111.33 (10)°. In the crystal, the amino group forms hydrogen bonds to the N atoms of the triazole rings of adjacent molecules, generating a ribbon running along the a axis.
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In the title compound, C11H8BrNO2, the nine-membered fused-ring is nearly planar [maximum deviation = 0.022 (2) Å] and the allyl group is arched over the nine-membered fused-ring at a dihedral angle of 89.2 (1)°. Weak intermolecular C—HO hydrogen bonding is present in the crystal structure.
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In the title compound, C23H24N4O3·H2O, the 1,3-oxazoline ring is nearly planar [maximum deviation = 0.059 (2) Å] and its mean plane is twisted by 30.12 (8)° with respect to the quinoxaline fused-ring system; the benzene ring is nearly coplanar with the quinoxaline fused-ring system [dihedral angle = 2.52 (2)°]. The water molecule of crystallization is hydrogen-bond donor to an N atom of the quinoxaline ring system as well as an O atom of the oxazolinone unit, the two hydrogen bonds generating a chain running along the c axis.
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In the title benzimidazolone, C27H38N2O11, which has N-bound glycosidic units, all five-membered O-heterocyclic rings adopt envelope conformations [for the outer rings, the C atom with the dimethyl groups represents the flap atom]. The two glycosidic units are related by a non-crystallographic twofold rotation axis that passes through the carbonyl portion. In the molecular structure, the hydroxy groups are hydrogen-bond donors to the carbonyl O atom. Weak intermolecular C—HO hydrogen bonding is present in the crystal structure.
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The title compound, C16H10N2S, is almost planar (r.m.s. deviation for all non-H atoms = 0.080 Å). The dihedral angle between the three fused-ring system and the phenyl ring is 9.26 (3)°. The S atom and the opposite C atom of the thiophene ring are mutually disordered with an occupancy ratio of 0.7706 (19):0.2294 (19).
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In the two independent molecules of the title compound, C10H7N3O3, the nitro substitutent is twisted slightly with respect to the benzodiazol fused-ring system [dihedral angles = 4.9 (3) and 8.5 (1)°]. The two independent molecules are disposed about a pseudo inversion center and are held together by N—HO hydrogen bonds. The supramolecular dimer is essentially planar [dihedral angle between the fused rings = 2.0 (1)°]. Adjacent dimers are linked by acetylene–nitro C—HO interactions, generating a ribbon motif along (110).
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In the title compound, C15H22N2O, the octyl group adopts an all-trans conformation. In the crystal, molecules form centrosymmetric dimers with an R22(8) graph-set motif, linked by pairs of N—HO hydrogen bonds. In addition, C—HO contacts are observed.
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The molecule of the title compound, C30H32N4O2, lies on a twofold rotation axis that passes through the mid-points of the C-C bonds of the piperazine ring, which adopts a chair conformation. The pyrrolidine ring that is fused to the piperazine ring adopts an envelope conformation (in which the N atom represents the flap). The indoline fused-ring system is nearly planar (r.m.s. deviation = 0.044 Å); the two symmetry-related indoline fused-rings systems are aligned at 71.44 (3)°.
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In the molecule of the title compound, C30H30Br2N4O2, the piperazine ring adopts a chair conformation. The pyrrolidine rings that are fused to the piperazine ring adopt envelope conformations (in which the N atom represents the flap). The indoline fused-ring systems are nearly planar (r.m.s. deviations = 0.009 and 0.019 Å); the two fused rings are aligned at 60.63 (6)°.
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In the title compound, C38H34Cl2N4O2, the piperazine ring adopts a chair conformation. The pyrrolidine rings that are fused to the piperazine ring adopt envelope conformations (in which the C atoms connecting the two rings represent the flap). The indoline ring systems are approximately planar (r.m.s. deviations = 0.026 and 0.034 Å) and are aligned at a dihedral angle of 54.98 (3)°.
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In the title hydrate, C10H10O4·H2O, the six-membered aliphatic ring that is fused to the benzene ring has a sofa shape, with the hydroxy group in the 3-position (that represents the sofa back) of the aliphatic ring occupying a quasi-axial position. The hydroxy group of the aromatic ring is hydrogen-bond donor to the carbonyl O atom; other O—HO hydrogen bonds link the organic molecules and the water molecules into a three-dimensional network.
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The seven-membered ring in the title compound, C15H12N2O, adopts a boat-shaped conformation (with the methylene C atom as the prow and the double-bond C=N pair of atoms as the stern). In the crystal, adjacent molecules are linked by an N—HO hydrogen bond to generate helical chains running along the a axis of the orthorhombic unit cell.
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In the title compound, C19H30N2O, the fused ring system is essentially planar, the maximum deviation from the mean plane being 0.013 (2) Å for the N atom bearing the dodecyl chain. The 1-dodecyl group is almost perpendicular to the 1H-benzo[d]imidazol-2(3H)-one plane as indicated by the dihedral angle of 82.9 (2)°between planes through the fused ring system and the first three C atoms of the chain. The C—C—C—C torsion angles (about ±179°) of the dodecyl group indicate an antiperiplanar conformation. In the crystal, inversion dimers are formed by pairs of N—HO hydrogen bonds.
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The fused five- and six-membered rings in the title compound, C10H10N2O, are approximately coplanar, with an r.m.s. deviation of 0.008 Å. The mean plane of the allyl group is roughly perpendicular to the mean plane of the 1,3-benzimidazol-2(3H)-one system, making a dihedral angle of 86.1 (2)°. In the crystal, each molecule is linked to its symmetry equivalent partner by a pair of N—HO and C—HO hydrogen bonds.
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The fused five- and six-membered rings in the title molecule, C10H9N3O2, are essentially coplanar, the largest deviation from the mean plane being 0.012 (1) Å for the C atom linked to the nitro group. The fused-ring system makes a dihedral angle of 11.34 (6)° with the nitro group, leading to a syn-periplanar conformation. The plane through the atoms forming the allyl group is nearly perpendicular to the indazole fused-ring system, as indicated by the dihedral angle of 73.3 (5)°. In the crystal, each molecule is linked to its symmetry equivalent about the center of inversion by pairs of non-classical C—HO hydrogen bonds, forming an extended tape motif parallel to the (-12-1) plane.