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The asymmetric unit of the title complex, [Tb2(C7H5O2)6(C12H8N2)2]·2C7H6O2, consists of one-half of the complex mol­ecule, which lies on a crystallographic inversion centre, and one benzoic acid solvent mol­ecule. The two TbIII ions are linked by four bridging benzoate ions, with a Tb...Tb distance of 3.9280 (6) Å. Additionally, each TbIII ion is coordinated by one phenanthroline heterocycle and a bidentate benzoate ion. The irregular nine-coordinated geometry of the TbIII ion is composed of seven O and two N atoms. The mol­ecular structure is stabilized by intra­molecular C—H...O hydrogen bonds. In the crystal structure, mol­ecules are linked into chains along the a axis by inter­molecular C—H...O hydrogen bonds. The crystal structure is further stabilized by inter­molecular C—H...O and C—H...π inter­actions. Weak π–π inter­actions are also observed [centroid–centroid distances = 3.6275 (14)–3.6604 (14) Å].

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The asymmetric unit of the title compound, [Fe(C5H5)(C7H8N3S)], consists of two crystallographically independent mol­ecules, A and B. The cyclo­penta­dienyl (Cp) rings in both mol­ecules adopt an eclipsed conformation and are parallel to each other, forming dihedral angles of 2.5 (3) and 1.1 (3)°, respectively. The mean plane of the semicarbazone group is coplanar with the attached Cp ring in mol­ecule A, whereas it is twisted away in mol­ecule B. In the crystal structure, inter­molecular N—H...S hydrogen bonds link the mol­ecules into two-dimensional planes parallel to the ab plane. The structure is further consolidated by C—H...π inter­actions.

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The asymmetric unit of the title polymeric complex, {[Sn2=(C6H5)6(C3H2O4)(H2O)]·C3H6O}n, comprises of two Sn cations, one malonate anion and a non-coordinating acetone solvent mol­ecule. Both crystallographically independent Sn cations are five-coordinated by two O and three C atoms in a distorted trigonal-bipyrimidal geometry. One of the Sn cations is bridged by the malonate units, affording polymeric chains which run along [001]. Weak intra­molecular C—H...π inter­actions stabilize the mol­ecular structure. In the crystal structure, adjacent chains are inter­connected by inter­molecular O—H...O and C—H...O hydrogen bonds into a three-dimensional supra­molecular structure. A weak inter­molecular C—H...π inter­action is also observed.

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The asymmetric unit of title compound, [Fe(C5H5)(C9H12N3S)], contains two crystallographically independent mol­ecules, A and B. The two cyclo­penta­dienyl (Cp) rings are parallel to each other in both mol­ecules, forming dihedral angles of 2.3 (3) and 1.0 (3)°, respectively, and adopt an eclipsed conformation. The mean plane of the semicarbazone group is twisted slightly away from the attached Cp ring in both mol­ecules, the dihedral angles between the mean plane and the Cp ring being 15.3 (2) and 10.8 (2)°. The ethyl group in mol­ecule A is coplanar with the mean plane of the semicarbazone group [C—N—C—C torsion angle = −175.2 (4)°], whereas it is nearly perpendicular in mol­ecule B [C—N—C—C torsion angle = 84.8 (6)°]. In the crystal structure, inter­molecular N—H...S hydrogen bonds link the mol­ecules into dimers. These dimers are further linked into chains via inter­molecular C—H...S hydrogen bonds. The crystal studied was a non-merohedral twin with a refined ratio of the twin components of 0.265 (2):0.735 (2).

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In the title compound, [Na(C6H3Cl2O3S)(H2O)]n, the NaI ion is penta­coordinated by three dichloro­benzene­sulfonate anions and two water mol­ecules, forming a distorted trigonal-bipyramidal geometry. The NaI ions are bridged by the sulfonate groups and the water mol­ecules, leading to a polymeric layer structure parallel to the bc plane in which O—H...O hydrogen bonds are observed.

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The title compound, C27H45Cl, is a second monoclinic polymorph which crystallizes in the space group P21 with four crystallographically independent mol­ecules in the asymmetric unit. The structure was previously reported [Bernal et al. (1940). Philos. Trans. R. Soc. London Ser. B, 239, 135–182; Vani & Vijayan (1979). Mol. Cryst. Liq. Cryst. 51, 253–264], also in the space group P21, but with two unique mol­ecules in the asymmetric unit. As in the previously reported structures, rings A and C in the mol­ecule adopt chair conformations with half-chair conformations for rings B and D. The ring junctions BC and CD are trans, whereas the junction AB is quasi-trans. In the crystal structure, mol­ecules are arranged in a head-to-tail fashion along a and are stacked along the b axis.

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In the title sydnone compound [systematic name: 3-(2,3-dimethyl-5-oxo-1-phenyl-2,5-dihydro-1H-pyrazol-4-yl)-1,2,3-oxadiazol-3-ium-5-olate], C13H12N4O3, the oxadiazole and pyrazole rings are essentially planar [maximum deviations = 0.006 (1) and 0.019 (1) Å, respectively] and are inclined at inter­planar angles of 37.84 (4) and 46.60 (4)°, respectively, with respect to the benzene ring. In the crystal, adjacent mol­ecules are inter­connected into a three-dimensional supra­molecular network via inter­molecular C—H...O hydrogen bonds. Weak inter­molecular π–π aromatic stacking inter­actions [centroid–centroid distance = 3.5251 (5) Å] further stabilize the crystal packing.

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The title compound, C13H10BrNO2, crystallizes in a zwitterionic form. The zwitterion exists in a trans configuration about the C=N bond and is almost planar, the dihedral angle between the two benzene rings being 2.29 (9)°. An intra­molecular N—H...O hydrogen bond formed between the iminium NH+ and the phenolate O atoms generates an S(6) ring motif. In the crystal, the zwitterions are linked through O—H...O hydrogen bonds into chains along [101] and these chains are further connected through C—H...Br inter­actions into a two-dimensional network perpendicular to (101). C...C [3.572 (3)–3.592 (3) Å] and C...Br [3.5633 (19)–3.7339 (18) Å] short contacts are observed. The crystal studied was a twin with twin law \overline{1}00, 0\overline{1}0, 001 with a domain ratio of 0.09919 (2):0.90081 (2).

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In the title compound, C20H22N2O3·0.25H2O, the water mol­ecule (occupancy 0.25) is disordered across a crystallographic inversion center. The dihedral angle between the hydroxy­phenyl ring and the benzimidazole ring system is 59.31 (9)°. In the crystal structure, mol­ecules are connected by inter­molecular O—H...N and C—H...O hydrogen bonds. The crystal structure is further stabilized by a weak C—H...π inter­action involving the imidazole ring.

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The asymmetric unit of the title compound, C30H46O4·0.5CHCl3, consists of one koetjapic acid [systematic name: (3R,4aR,4bS,7S,8S,10bS,12aS)-7-(2-carboxy­ethyl)-3,4b,7,10b,12a-penta­methyl-8-(prop-1-en-2-yl)-1,2,3,4,4a,4b,5,6,7,8,9,10,10b,11,12,12a-hexa­deca­hydro­chrysene-3-carboxylic acid] mol­ecule and one half-mol­ecule of chloro­form solvent, which is disordered about a twofold rotation axis. The symmetry-independent component is further disordered over two sites, with occupancies of 0.30 and 0.20. The koetjapic acid contains a fused four-ring system, A/B/C/D. The A/B, B/C and C/D junctions adopt E/trans/cis configurations, respectively. The conformation of ring A is inter­mediate between envelope and half-chair and ring B adopts an envelope conformation whereas rings C and D adopt chair conformations. A weak intra­molecular C—H...O hydrogen bond is observed. The koetjapic acid mol­ecules are linked into dimers by two pairs of inter­molecular O—H...O hydrogen bonds. The dimers are stacked along the c axis.

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In the title compound, C10H8N2O3, the oxadiazole ring is essentially planar, with a maximum deviation of 0.006 (1) Å for the two-connected N atom. The mean planes through the aldehyde unit and the methyl-substituted phenyl ring make inter­planar angles of 13.60 (9) and 59.69 (4)°, respectively, with the oxadiazole ring. In the crystal structure, adjacent mol­ecules are inter­connected into a two-dimensional array parallel to (100) by inter­molecular C—H...O hydrogen bonds.

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The asymmetric unit of the title compound, C13H10F2N2O, contains one and a half N,N′-bis­(4-fluoro­phen­yl)urea mol­ecules. One of the mol­ecules has crystallographic twofold rotation symmetry. The benzene rings are twisted from each other by dihedral angles of 29.69 (6)° for the mol­ecule in a general position and 89.83 (6)° for the symmetry-generated mol­ecule. In the crystal structure, a pair of inter­molecular N—H...O hydrogen bonds link symmetry-related mol­ecules into chains along the b axis, forming R21(6) ring motifs.

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The asymmetric unit of the title compound, C12H8N2·0.5C2H4N2S2, contains one 1,10-phenanthroline mol­ecule and a half-mol­ecule of dithio­oxamide, which lies across a crystallographic inversion center. The 1,10-phenanthroline unit is not strictly planar, with dihedral angles between the central benzene ring and the pyridine rings of 1.42 (10) and 1.40 (10)°. In the crystal structure, two 1,10-phenanthroline mol­ecules are linked together by one dithio­oxamide via inter­molecular N—H...N hydrogen bonds.

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In the title compound, C27H20ClNO, the quinoline ring forms a dihedral angle of 62.53 (5)° with the substituent benzene ring. In the crystal, inter­molecular C—H...Cl inter­actions link the mol­ecules into chains along the b axis. Inter­molecular C—H...N and C—H...O hydrogen bonds further consolidate the structure into a three-dimensional network. The unit cell contains four solvent-accessible voids, each with a volume of 35 Å3, but no significant electron density was found in them.

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The title compound, C20H17N3O2·CH4O·H2O, was synthesized by the condensation reaction of 2-benzyl­oxybenzaldehyde with isoniazid (isonicotinic acid hydrazide). The tricyclic compound displays a trans configuration with respect to the C=N double bond. The central benzene ring makes dihedral angles of 8.83 (7) and 70.39 (8)° with the pyridine ring and the terminal benzene ring, respectively. The dihedral angle between the pyridine ring and the terminal benzene ring is 73.11 (8)°. In the crystal structure, mol­ecules are connected by inter­molecular N—H...O, O—H...O, O—H...(N,N) and C—H...O hydrogen bonds, forming a two-dimensional network perpendicular to the a axis.

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In the title compound, C19H23NO6, the 1,4-dihydro­pyridine ring is twisted slightly from planarity, with a maximum deviation of 0.101 (1) Å, and adopts a very flattened boat conformation. The dihedral angle formed between the plane through the four C atoms of the 1,4-dihydro­pyridine ring and the benzene ring is 84.67 (7)°. In the crystal structure, inter­molecular N—H...O and C—H...O hydrogen bonds link the mol­ecules into a three-dimensional network.

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In the title compound, C6H10N2O, the 2,3-dihydro-1H-pyrazole ring is approximately planar, with a maximum deviation of 0.013 (1) Å. Pairs of inter­molecular N—H...O hydrogen bonds link neighboring mol­ecules into dimers, generating R22(8) ring motifs. These dimers are further linked into two-dimensional arrays parallel to the bc plane by inter­molecular N—H...O hydrogen bonds. The crystal structure is further stabilized by C—H...π inter­actions.

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In the title compound, C32H30N2O7, the piperidone ring adopts a chair conformation and the five-membered ring of the dihydro­indenone ring system adopts an envelope conformation. Intra­molecular O—H...N and C—H...O hydrogen bonds occur. The dihedral angle between the two hydr­oxy-subsituted methoxy­phenyl rings is 71.12 (5)°. In the crystal structure, mol­ecules are connected by inter­molecular O—H...O hydrogen bonds, forming layers parallel to (001). These layers are further connected by C—H...O hydrogen bonds, forming a three-dimensional network.

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In the title compound, 2C14H14N+·C6H4BrO3S·I, two crystallographically independent cations exist in an E configuration with respect to the C=C ethenyl bond. One cation is approximately planar, whereas the other is twisted slightly, the dihedral angles between the pyridinium and phenyl rings of each cation being 0.96 (15) and 7.05 (16)°. In the crystal structure, the cations are stacked in an anti­parallel manner along the a axis through weak C—H...π inter­actions and π–π inter­actions, with centroid–centroid distances of 3.5544 (19) and 3.699 (2) Å. The 4-bromobenzene­sulfonate anions and the cations are linked together by weak C—H...O inter­actions. A short Br...I contact [3.6373 (4) Å] and C—H...I interactions are also observed.

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In the title sydnone compound, C24H18N6O3S {systematic name: 4-[3-(1-naphthyl­oxymeth­yl)-7H-1,2,4-triazolo[3,4-b][1,3,4]thia­diazin-6-yl]-3-p-tolyl-4,5-dihydro-1,2,3-oxadiazol-3-ium-5-olate} an intra­molecular C—H...O hydrogen bond generates an S(6) ring motif. The 3,6-dihydro-1,3,4-thia­diazine ring adopts a twist-boat conformation. The essentially planar 1,2,3-oxadiazole and 1,2,4-triazole rings [maximum deviations of 0.006 (1) and 0.008 (1) Å, respectively] are inclined to one another at inter­planar angle of 44.11 (4)°. The naphthalene unit forms an inter­planar angle of 66.40 (4)° with the 1,2,4-triazole ring. In the crystal packing, pairs of inter­molecular C—H...O hydrogen bonds link adjacent mol­ecules into dimers incorporating R22(12) ring motifs. Further stabilization is provided by weak C—H...π inter­actions.

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The asymmetric unit of the title compound, C5H5ClN2·0.5C4H4O4, comprises a neutral 2-amino-5-chloro­pyridine mol­ecule and one half of a fumaric acid mol­ecule which lies on an inversion center. The dihedral angle between the pyridine ring and the plane formed by the fumaric acid mol­ecule is 3.22 (8)°. The 2-amino-5-chloro­pyridine mol­ecule is planar, with a maximum deviation of 0.004 (1) Å for the pyridine N atom. In the crystal, the 2-amino-5-chloro­pyridine mol­ecules inter­act with the carboxyl groups of fumaric acid mol­ecules through N—H...O and O—H...N hydrogen bonds, forming centrosymmetric R22(8) ring motifs and another N—H...O hydrogen bond links these motifs into a two-dimensional network parallel to (100).

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In the crystal structure of the title salt, C5H6ClN2+·C7H5O3, the protonated N atom and the 2-amino group of the cation are hydrogen bonded to the carboxyl­ate O atoms via a pair of N—H...O hydrogen bonds, forming R22(8) ring motifs. These motifs are centrosymmetrically paired via N—H...O hydrogen bonds, forming a complementary donor–donor–acceptor–acceptor (DDAA) array. A typical intra­molecular O—H...O hydrogen bond is also observed in the salicylate anion. The crystal structure is further stabilized by weak C—H...π inter­actions.

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The asymmetric unit of the title compound, C6H9N2+·C6H4NO2·0.63H2O, contains two crystallographically independent 2-amino-5-methyl­pyridinium cations, a pair of picolinate anions and two water mol­ecules, one with an occupancy of 0.25. Both the 2-amino-5-methyl­pyridine mol­ecules are protonated at the pyridine N atoms. In the crystal structure, the cations, anions and water mol­ecules are linked via N—H...O, N—H...N and O—H...O hydrogen bonds, as well as by C—H...O contacts, forming a chain along the b axis. In addition, weak π–π inter­actions are observed between pyridinium rings, with centroid–centroid distances of 3.5306 (13) Å.

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In the title compound, C32H26Cl2N2O3, the piperidone ring adopts a chair conformation and the proline and pyrrolidine rings adopt envelope conformations. The indane ring system is essentially planar with an r.m.s. deviation of 0.011 Å for the non-H atoms. The dihedral angle between the two chloro-substituted benzene rings is 63.69 (10)°. Intra­molecular C—H...O and N—H...O hydrogen bonds may influence the mol­ecular conformation. In the crystal structure, mol­ecules are connected into layers by weak inter­molecular C—H...O hydrogen bonds.

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In the title compound, C19H12FN3O2S, the chromene ring system and the thia­zole ring are approximately planar [maximum deviations of 0.023 (3) Å and 0.004 (2) Å, respectively]. The chromene ring system is inclined at angles of 4.78 (10) and 26.51 (10)° with respect to the thia­zole and benzene rings, respectively, while the thia­zole ring makes a dihedral angle of 23.07 (12)° with the benzene ring. The mol­ecular structure is stabilized by an intra­molecular C—H...O hydrogen bond, which generates an S(6) ring motif. The crystal packing is consolidated by inter­molecular N—H...O hydrogen bonds, which link the mol­ecules into chains parallel to [100], and by C—H...π and π–π [centroid–centroid distance = 3.4954 (15) Å] stacking inter­actions.

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In the title compound, C18H21NO3, the oxazolidine ring adopts an envelope conformation with the N atom at the flap position. The two benzene rings make dihedral angles of 74.27 (14) and 73.26 (15)° with the mean plane through the oxazolidine ring. In the crystal structure, O—H...O and C—H...O hydrogen bonds connect adjacent mol­ecules into chains along [010] incorporating R22(8) loops and further stabilization is provided by weak inter­molecular C—H...π inter­actions.

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In the title mol­ecular salt, C6H9N2+·C3H3O4, the cation is essentially planar, with a maximum deviation of 0.010 (3) Å. In the anion, an intra­molecular O—H...O hydrogen bond generates an S(6) ring and results in a folded conformation. In the crystal, the protonated NH group and the 2-amino group of the cation are hydrogen bonded to the carboxyl­ate O atoms of the anion via a pair of N—H...O hydrogen bonds, forming an R22(8) ring motif. Weak inter­molecular C—H...O inter­actions help to further stabilize the crystal structure.

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In the title compound, C14H18N2O3S, the 1H-pyrazole ring is approximately planar, with a maximum deviation of 0.005 (1) Å. The dihedral angle formed between the 1H-pyrazole and phenyl rings is 79.09 (5)°. Pairs of inter­molecular N—H...O and O...H...N hydrogen bonds form dimers between neighboring mol­ecules, generating R22(10) ring motifs. These dimers are further linked by intermolecular N—H...O and O—H...N hydrogen bonds into two-dimensional arrays parallel to the ac plane. The crystal structure is also stabilized by C—H...π inter­actions.

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The asymmetric unit of the title Schiff base compound, C12H15N3O, contains two crystallographically independent mol­ecules, with both existing in an E configuration with respect to the C=N double bonds. In the crystal structure, inter­molecular N—H...N and C—H...O hydrogen bonds link the mol­ecules into a three-dimensional network.

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The title compound, C12H10BrN3O2S, exists in an E configuration with respect to the C=N bond. The approximately planar 2H-chromene ring system [maximum deviation = 0.059 (1) Å] is inclined at a dihedral angle of 17.50 (5)° with respect to the mean plane through the thio­semicarbazide unit and an intra­molecular N—H...N hydrogen bond generates an S(5) ring. In the crystal structure, adjacent mol­ecules are linked by N—H...S hydrogen bonds, forming [010] chains built up from R22(8) loops, such that each S atom accepts two such bonds. These chains are further inter­connected into sheets parallel to the ab plane via short Br...O inter­actions [3.0732 (13) Å] and a π–π aromatic stacking inter­action [3.7870 (8) Å] is also observed.

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The title isoniazid derivative, C16H17N3O, exists in an E configuration with respect to the Schiff base C=N bond. The pyridine ring is essentially planar [maximum deviation = 0.009 (3) Å]. The mean plane through the hydrazide unit forms dihedral angles of 38.38 (16) and 39.42 (16)°, respectively, with the pyridine and benzene rings. In the crystal structure, symmetry-related mol­ecules are linked via inter­molecular N—H...O hydrogen bonds into chains along [100]. The crystal structure is further stabilized by weak inter­molecular C—H...π inter­actions.

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In the title compound, C15H8N2O, the fused ring system is approximately planar, with a maximum deviation of 0.039 (1) Å. In the crystal, weak inter­molecular C—H...O inter­actions help to establish the packing.

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In the title compound, C16H13N3OS, the thio­morpholine ring exists in a screw boat conformation. The angle between the benzimidazole ring system and the benzene ring fused to the thia­zine ring is 67.22 (6)°. In the crystal, mol­ecules form infinite chains along the a axis via inter­molecular N—H...N inter­actions. C—H...π inter­actions also contribute to the stability of the crystal structure.

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The title salt, C5H6ClN2+·C3H3O4, contains two cations and two anions in the asymmetric unit. Both 2-amino-5-chloro­pyridinium ions are protonated at their pyridine N atoms and both hydrogen malonate ions feature an intra­molecular O—H...O hydrogen bond, which generates an S(6) ring motif and results in a folded conformation. In the crystal structure, the cations and anions are linked via N—H...O, O—H...O and C—H...O hydrogen bonds, forming chains propagating in [010], which are cross-linked by further C—H...O inter­actions.

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In the title compound, C19H13N3O3S·0.5H2O, both organic mol­ecules (A and B) exist in E configurations with respect to the acyclic C=N bond and have similar overall conformations. In mol­ecule A, the essentially planar thia­zole ring [maximum deviation = 0.010 (2) Å] is inclined at inter­planar angles of 11.44 (10) and 32.50 (12)°, with the 2H-chromene ring system and the benzene ring, respectively. The equivalent values for mol­ecule B are 0.002 (2) Å, 7.71 (9) and 12.51 (12)°. In the crystal structure, neighbouring mol­ecules are inter­connected into infinite layers lying parallel to (010) by O—H...O, O—H...N, N—H...O and C—H...O hydrogen bonds. Further stabilization of the crystal structure is provided by weak inter­molecular C—H...π and π–π [centroid–centroid distance = 3.6380 (19) Å] inter­actions.
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