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1.  (E)-4-[2-(4-Eth­oxy­phen­yl)ethen­yl]-1-methyl­pyridinium 4-bromo­benzene­sulfonate methanol hemisolvate1  
In the title compound, C16H18NO+·C6H4BrO3S−·0.5CH3OH, the cation exists in the E configuration and the whole mol­ecule of the cation, except for the O atom of the eth­oxy group, is disordered with a site-occupancy ratio of 0.695 (5):0.305 (5). The cation is disordered in such a way that the ethenyl units of the major and minor components are related by 180° around the long mol­ecular axis. In the major component, the cation is almost planar, the dihedral angle between the pyridinium and benzene rings being 0.8 (3)°, whereas in the minor component, the dihedral angle between the two aromatic rings is 4.2 (6)°. In the crystal, the cations are stacked in an anti­parallel manner along the a axis, while the anions and methanol mol­ecules are linked through O—H⋯O hydrogen bonds and Br⋯O short contacts [3.0248 (13) Å] into a tape along the same direction. The three components are further linked by weak C—H⋯O, C—H⋯Br and C—H⋯π inter­actions.
doi:10.1107/S1600536810050944
PMCID: PMC3050231  PMID: 21522618
2.  6-(4-Bromo­phen­yl)-2-eth­oxy-4-(2,4,6-trimethoxy­phen­yl)nicotinonitrile1  
In the asymmetric unit of the title nicotinonitrile derivative, C23H21BrN2O4, there are two non-planar independent mol­ecules. The central pyridine ring makes dihedral angles of 9.05 (7) and 77.06 (7)°, respectively, with the 4-bromo­phenyl and 2,4,6-trimethoxy­phenyl rings in one mol­ecule, whereas the corresponding values are 5.96 (7) and 82.37 (7)° in the other. All the three meth­oxy groups are essentially in the plane of the attached benzene ring [C—O—C—C angles = 2.99 (19), 4.8 (2) and −6.2 (2)° in one mol­ecule, and 2.69 (18), 176.73 (15) and 1.3 (2)° in the other]. The eth­oxy group is slightly twisted in one mol­ecule [C—C—O—C = 173.84 (12)°], whereas it is coplanar with the pyridine ring in the other [C—C—O—C = −177.23 (13)°]. Weak intra­molecular C—H⋯N inter­actions generate S(5) ring motifs. In the crystal structure, the mol­ecules are linked by weak inter­molecular C—H⋯N and C—H⋯O inter­actions into a supra­molecular three-dimensional network in such a way that the nicotinonitrile units of neighboring mol­ecules are stacked in an anti­parallel manner along the c axis. The crystal is further stabilized by C—H⋯π inter­actions.
doi:10.1107/S1600536809043943
PMCID: PMC2971038  PMID: 21578493
3.  (2E)-3-{4-[(1H-1,3-Benzimidazol-2-yl)meth­oxy]-3-eth­oxy­phen­yl}-1-(4-bromo­phen­yl)prop-2-en-1-one monohydrate 
In the title compound, C25H21BrN2O3·H2O, the benzimidazole fragment and the water mol­ecule of crystallization are each disordered over two sets of sites of equal occupancy. The dihedral angles between the least-squares planes of the benzimidazole and the 3-eth­oxy- and 4-bromo­benzene rings are 86.9 (6) and 85.1 (1)°, respectively in one disorder component. The crystal packing is stabilized by inter­molecular O—H⋯O, O—H⋯N and N—H⋯N hydrogen bonds, which link the mol­ecules into chains along the a axis.
doi:10.1107/S1600536811008154
PMCID: PMC3099940  PMID: 21754118
4.  2-Eth­oxy-6-[1-(3-eth­oxy-2-hy­droxy­benz­yl)-2,3-dihydro-1H-benzimidazol-2-yl]phenol acetonitrile monosolvate 
The title compound, C24H24N2O4·CH3CN, a disubstituted benzimidazole, crystallized as an acetonitrile monosolvate. The benzene ring of the 2-eth­oxy-6-methyl­phenol substiuent is approximately perpendicular to the nearly planar benzimidazole ring system [maximum deviation = 0.016 (1) Å], making a dihedral angle of 84.27 (8)°. The benzene ring of the 2-eth­oxy­phenol substituent is inclined to the benzimidazole mean plane by 29.68 (8)°. The dihedral angle between the benzene rings is 80.36 (9)°. In the mol­ecule, there are strong O—H⋯N and O—H⋯O hydrogen bonds. In the crystal, mol­ecules are connected by bifurcated O—H⋯(O,O) hydrogen bonds, forming chains propagating along [010].
doi:10.1107/S1600536812015449
PMCID: PMC3344524  PMID: 22590286
5.  Ethyl 1-(2-hy­droxy­eth­yl)-2-p-tolyl-1H-benzimidazole-5-carboxyl­ate 
The asymmetric unit of the title compound, C19H20N2O3, contains two mol­ecules (A and B) with slightly different orientations of the ethyl groups with respect to the attached carboxyl­ate groups. Intra­molecular C—H⋯O hydrogen bonds generate S(8) ring motifs in both mol­ecules A and B. In each mol­ecule, the benzimidazole ring system is essentially planar, with maximum deviations of 0.023 (1) and 0.020 (1) Å, respectively, for mol­ecules A and B. The dihedral angle between the benzimidazole ring system and the phenyl ring is 37.34 (5)° for mol­ecule A and 42.42 (5)° for mol­ecule B. In the crystal, O—H⋯N and C—H⋯O hydrogen bonds link the mol­ecules into [100] columns with a cross-section of two-mol­ecule by two-mol­ecule wide, and further stabilization is provided by weak C—H⋯π and π–π inter­actions [centroid separations = 3.5207 (7) and 3.6314 (8) Å].
doi:10.1107/S1600536810020799
PMCID: PMC3006903  PMID: 21587829
6.  6-(4-Bromo­phen­yl)-2-eth­oxy-4-(2,4,5-trimethoxy­phen­yl)nicotinonitrile1  
There are two mol­ecules in the asymmetric unit of the title compound, C23H21BrN2O4, which differ in the conformation of their ethoxy residues, i.e. almost co-planar with the pyridine ring in one mol­ecule [C—O—C—C = −174.0 (2)°] but almost perpendicular in the other [C—O—C—C = 92.8 (3)°]. The dihedral angles between the central pyridine ring and the 4-bromo­phenyl and 2,4,5-trimethoxy­phenyl rings are 11.05 (12) and 63.78 (12)°, respectively, in one mol­ecule; the corres­ponding angles in the other mol­ecule are 30.38 (13) and 65.38 (13)°, respectively. In the crystal structure, pairs of mol­ecules are arranged in a face-to-face sandwich structure which further stacks along the b axis. The crystal packing features C—H⋯π inter­actions and Br⋯O [3.5417 (17) Å], Br⋯C [3.748 (3) Å], C⋯N [3.376 (4) Å] and C⋯O [3.351 (3)–3.409 (3) Å] contacts. Finally, π⋯π inter­actions [centroid⋯centroid distances = 3.6346 (19) and 3.6882 (19) Å] are observed.
doi:10.1107/S1600536810005210
PMCID: PMC2983629  PMID: 21580396
7.  6-(4-Bromo­phen­yl)-2-eth­oxy-4-(4-ethoxy­phen­yl)nicotinonitrile 
The mol­ecule of the title nicotinonitrile derivative, C22H19BrN2O2, is non-planar, the central pyridine ring making dihedral angles of 7.34 (14) and 43.56 (15)° with the 4-bromo­phenyl and 4-ethoxy­phenyl rings, respectively. The eth­oxy group of the 4-ethoxy­phenyl is slightly twisted from the attached benzene ring [C—O—C—C = 174.2 (3)°], whereas the eth­oxy group attached to the pyridine ring is in a (+)syn-clinal conformation [C—O—C—C = 83.0 (3)°]. A weak intra­molecular C—H⋯N inter­action generates an S(5) ring motif. In the crystal structure, the mol­ecules are linked by weak inter­molecular C—H⋯N inter­actions into screw chains along the b axis. These chains stacked along the a axis. π–π inter­actions with centroid–centroid distances of 3.8724 (16) and 3.8727 (16) Å are also observed.
doi:10.1107/S1600536809051861
PMCID: PMC2980143  PMID: 21580178
8.  3-(4-Chloro­phen­yl)-5-(4-eth­oxy­phen­yl)-4,5-dihydro-1H-pyrazole-1-carbothio­amide ethanol monosolvate 
The asymmetric unit of the title compound, C18H18ClN3OS·C2H5OH, comprises a pyrazoline derivative and an ethanol solvent mol­ecule. In the mol­ecule of the pyrazoline derivative, the pyrazole ring adopts an envelope conformation with the C atom bearing the eth­oxy­phenyl substituent as the flap. The dihedral angle between the benzene rings is 74.22 (7)°. The eth­oxy group is coplanar with the attached benzene ring [C—O—C—Cmeth­yl = 175.50 (11)° and r.m.s. deviation = 0.0459 (1) Å for the nine non-H atoms]. In the crystal, the pyrazoline mol­ecules are linked by N—H⋯Oeth­oxy hydrogen bonds into chains along the c axis and are further linked with the solvent ethanol mol­ecules by N—H⋯Oethanol and Oethanol—H⋯S hydrogen bonds. C—H⋯π inter­actions are also present.
doi:10.1107/S1600536813005369
PMCID: PMC3629506  PMID: 23634024
9.  (E)-3-(4-Eth­oxy­phen­yl)-1-(2-hy­droxy­phen­yl)prop-2-en-1-one 
In the title compound, C17H16O3, the carbonyl group is in an s-cis configuration with respect to the olefinic double bond. The dihedral angle between the two benzene rings is 2.85 (3)°. The prop-2-en-1-one bridge makes dihedral angles of 4.77 (4) and 4.15 (4)°, respectively, with the 2-hy­droxy­phenyl and 4-eth­oxy­phenyl rings. The eth­oxy group is coplanar with the attached phenyl ring [Car—O—C—C = 179.72 (5)°]. An intra­molecular O—H⋯O hydrogen bond generates an S(6) ring motif. In the crystal structure, mol­ecules are stacked in an anti­parallel manner to form columns along the b axis. The columnar structure is stabilized by C—H⋯π inter­actions involving the 2-hy­droxy­phenyl ring.
doi:10.1107/S1600536810032514
PMCID: PMC3007889  PMID: 21588690
10.  1-{2-(4-Chloro­benz­yloxy)-2-[4-(mor­pho­lin-4-yl)phen­yl]eth­yl}-1H-benzimidazole propan-2-ol monosolvate 
In the title compound, C26H26ClN3O2·C3H7OH, the benzimid­azole ring system is essentially planar [maximum deviation = −0.018 (2) Å] and its mean plane is oriented with respect to the two benzene rings at dihedral angles of 4.51 (6) and 56.16 (6)°, and the dihedral angle between the two benzene rings is 59.11 (7)°. The morpholine ring displays a chair conformation. The propan-2-ol solvent mol­ecule links with the benzimidazole ring via an O—H⋯N hydrogen bond. In the crystal, weak inter­molecular C—H⋯O hydrogen bonds link the mol­ecules into inversion dimers with an R 2 2(28) motif. π–π stacking occurs between the parallel chloro­benzene rings [centroid–centroid distance = 3.792 (1) Å]. Weak C—H⋯π inter­actions and short Cl⋯Cl [3.2037 (10) Å] contacts are also observed.
doi:10.1107/S1600536813022599
PMCID: PMC3884486  PMID: 24427066
11.  4-{[(E)-(4-Chloro­phen­yl)methyl­idene]amino}-3-{2-[4-(2-methyl­prop­yl)phen­yl]eth­yl}-1H-1,2,4-triazole-5(4H)-thione 
The asymmetric unit of the title compound, C21H23ClN4S, contains nine crystallographically independent mol­ecules, labelled A to I. The orientation of the 2-[4-(2-methyl­prop­yl)phen­yl]ethyl unit with respect to the rest of the mol­ecule is significantly different in mol­ecules E, F, H and I compared to the other independent mol­ecules. The isobutyl group of mol­ecule B is disordered over two orientations, with occupancies of 0.764 (7) and 0.236 (7). The benzene rings of the chloro­phenyl and methyl­propyl­phenyl units form dihedral angles of 21.90 (11) and 71.47 (11)°, respectively, with the triazole ring in mol­ecule A [9.15 (11) and 80.37 (11)° in B, 7.14 (11) and 84.06 (11)° in C, 25.76 (11) and 76.59 (11)° in D, 13.68 (11) and 76.82 (10)° in E, 8.38 (11) and 69.77 (10)° in F, 30.34 (11) and 78.12 (11)° in G, 21.20 (11) and 71.58 (10)° in H, and 27.65 (11) and 65.23 (11)° in I]. In each independent mol­ecule, a C—H⋯S hydrogen bond is observed. The crystal packing is stabilized by N—H⋯S and C—H⋯S hydrogen bonds, and by C—H⋯π inter­actions involving the methyl­propyl­phenyl ring.
doi:10.1107/S160053680901650X
PMCID: PMC2969595  PMID: 21583109
12.  2-Eth­oxy-6-{[1-(3-eth­oxy-2-hy­droxy­benz­yl)-1H-benzimidazol-2-yl]meth­yl}phenol nitro­methane monosolvate 
In the title solvate, C24H24N2O4·CH3NO2, the benzene ring of the 2-eth­oxy-6-methyl­phenol substituent is approximately perpendicular to the nearly planar benzimidazole ring [maximum deviation = 0.021 (2) Å], making a dihedral angle of 84.32 (7)°. The benzene ring of the 2-eth­oxy­phenol group is somewhat inclined to the benzimidazole ring plane by 28.03 (5)°. The dihedral angle between the benzene rings is 82.20 (9)°. The compound reveals strong intra­molecular O—H⋯N and O—H⋯O hydrogen bonds, forming six- and five-membered rings, respectively. In the crystal, mol­ecules are connected by bifurcated O—H⋯(O,O) hydrogen bonds, forming chains along the b axis.
doi:10.1107/S1600536812023665
PMCID: PMC3379470  PMID: 22719668
13.  Ethyl 1-[2-(morpholin-4-yl)eth­yl]-2-[4-(trifluoro­meth­yl)phen­yl]-1H-benzimid­azole-5-carboxyl­ate 
In the title compound, C23H24F3N3O3, the morpholine ring adopts a chair conformation. The benzimidazole ring is approximately planar, with a maximum deviation of 0.028 (1) Å for one of the unsubstituted C atoms. The benzimidazole ring makes dihedral angles of 35.66 (4) and 75.45 (5)° with the attached phenyl and morpholine rings, respectively. In the crystal structure, adjacent mol­ecules are linked via C—H⋯F and C—H⋯O hydrogen bonds to form a two-dimensional network.
doi:10.1107/S1600536811014619
PMCID: PMC3089142  PMID: 21754513
14.  Crystal structure of {(E)-4-[(1-allyl-1H-1,2,3-triazol-4-yl)meth­oxy]benzyl­idene}[2-(morpholin-4-yl)eth­yl]amine 
In the title compound, C19H25N5O2, the morpholine ring has a chair conformation. The plane of the central benzene ring makes dihedral angles of 88.75 (12) and 60.02 (7)°, respectively, with the mean plane formed by the four planar C atoms of the morpholine ring and with the plane of the triazole ring. In the crystal, mol­ecules are linked via C—H⋯π inter­actions, forming slabs lying parallel to (10-1). The C atoms of the bridging ethyl­ene group, between the morpholine and benzene rings, and the terminal ethene group of the prop-1-ene substituent attached to the triazole ring, are disordered over two sets of sites, with an occupancy ratio of 0.634 (13):0.366 (13).
doi:10.1107/S1600536814016754
PMCID: PMC4186139  PMID: 25309262
crystal structure; Schiff base; morpholine; 1,2,3-triazole; disorder
15.  Bis{(R)-1-(3-amino­sulfonyl-4-meth­oxy­phen­yl)-N-[2-(2-eth­oxy­phen­oxy)eth­yl]propan-2-aminium} adipate tetra­hydrate 
The title compound, 2C20H29N2O5S+·C6H8O4 2−·4H2O, which was found to be optically active, is a relatively rare example of a chiral compound crystallizing in the triclinic crystal system. The dihedral angles between the phenyl rings of the cations are 60.03 (15) and 62.03 (16)°, while the C atoms of the anion are almost coplanar (r.m.s. deviation 0.085 Å) and all trans to each other. In the crystal, the components are connected by an extensive network of N—H⋯O and O—H⋯O hydrogen bonds. The sulfonamide groups link the cations into pairs via two N—H⋯O hydrogen bonds about the pseudo-inversion centre, leading to the formation of R 2 2(8) rings. The anions are stacked in between four cationic pairs. Pairs of water mol­ecules bridge the larger building units, forming hydrogen bonds with the remaining two O atoms of the anion.
doi:10.1107/S1600536813005254
PMCID: PMC3629575  PMID: 23634062
16.  (Z)-3-(Anthracen-9-yl)-1-(2-eth­oxy­phen­yl)prop-2-en-1-one1  
The mol­ecule of the title chalcone, C25H20O2, consisting of 2-eth­oxy­phenyl and anthracene rings bridged by a prop-2-en-1-one unit, is twisted and exists in the Z configuration with respect to the central C=C bond. The dihedral angle between the benzene and anthracene rings is 78.17 (9)°. The propene unit makes dihedral angles of 44.5 (2) and 81.1 (2)° with the benzene and anthracene rings, respectively. The eth­oxy substituent is almost coplanar with the attached benzene ring [C—O—C—C torsion angle = 178.57 (19)°]. In the crystal, mol­ecules are linked into chains along the a axis by weak C—H⋯O inter­actions. The crystal structure is further stabilized by C—H⋯π inter­actions.
doi:10.1107/S1600536810038183
PMCID: PMC2983337  PMID: 21587640
17.  2-Eth­oxy-4-(4-methyl­phen­yl)-6-phenyl­pyridine-3-carbonitrile 
The title compound, C21H18N2O, crystallized with two independent mol­ecules (A and B) in the asymmetric unit. In mol­ecule A, the central pyridine ring forms dihedral angles of 14.55 (13) and 39.14 (12)° with the terminal phenyl and benzene rings, respectively. The latter rings make a dihedral angle of 33.06 (13)° with each other. The corresponding values for mol­ecule B are 26.86 (13), 41.82 (12) and 38.99 (13)°, respectively. In the crystal, the B mol­ecules are linked via a pair of weak C—H⋯N hydrogen bonds, forming inversion dimers. In addition, C—H⋯π inter­actions and π–π [centroid–centroid distances = 3.5056 (16) and 3.8569 (17) Å] stacking inter­actions are observed.
doi:10.1107/S1600536812032163
PMCID: PMC3414949  PMID: 22904936
18.  3-[1-(4-Bromo­phen­yl)eth­oxy]-2,2,5-trimethyl-4-phenyl-3-aza­hexa­ne 
The title compound, C22H30BrNO, is an alk­oxy­amine compound, an effective initiator in nitroxide-mediated free radical polymerization. It was prepared as a mixture of two diasteromers; the crystal for the X-ray analysis showed one of these as a pair of R,S and S,R enanti­omers. The tert-butyl and isopropyl groups are in an almost anti conformation in the crystal [C—N—C—C torsion angle = −168.8 (1)°], and the methyl group of the ethoxy group is in an approximate anti relationship to the tert-butyl group. The dihedral angle between the phenyl and benzene rings is 33.12 (7)°. The Br atom is disordered over two positions, with occupancies of 0.9139 (16) and 0.0861 (16). In the crystal, weak C—H⋯Br contacts link the mol­ecules into chains along [-110].
doi:10.1107/S1600536813029966
PMCID: PMC3885056  PMID: 24454232
19.  6-(4-Amino­phen­yl)-4-(4-eth­oxy­phen­yl)-2-meth­oxy­nicotinonitrile 
In the title mol­ecule, C21H19N3O2, the central pyridine ring makes dihedral angles of 14.46 (9) and 34.67 (8)° with the 4-amino- and 4-eth­oxy-substituted benzene rings, respectively. The eth­oxy group is essentially coplanar with the attached benzene ring [C—O—C—C torsion angle = 178.70 (16)°] as is the meth­oxy group with the pyridine ring [C—O—C—N torsion angle = −3.0 (3)°]. In the crystal, mol­ecules are linked by N—H⋯N hydrogen bonds into chains along [201]. Weak C—H⋯O hydrogen bonds and C—H⋯π inter­actions are also present.
doi:10.1107/S1600536812036276
PMCID: PMC3435837  PMID: 22969683
20.  5,11,17,23-Tetra-tert-butyl-25,27-bis­[2-(4-nitro­phen­oxy)eth­oxy]calix[4]arene-26,28-diol acetonitrile tetra­solvate 
In the crystal structure of the title compound, C60H70N2O10·4CH3CN, the calix[4]arene mol­ecule adopts an open-cone conformation with two intra­molecular O—H⋯O hydrogen bonds. The four benzene rings of the calix[4]arene are twisted to the mean plane defined by four methyl­ene C atoms bridging the benzene rings, with dihedral angles ranging from 57.74 (10) to 65.99 (12)°. Two pendant nitro­phenyl rings are nearly perpendicular to each other, the dihedral angle being 70.9 (3)°. The asymmetric unit of the crystal structure contains four acetonitrile solvent mol­ecules, one of which lies in the calix cavity and makes C—H⋯π inter­actions and another links with the calix[4]arene via C—H⋯O hydrogen bonding. One tert-butyl group is disordered over two sets of sites, with a 0.736 (13):0.264 (13) occupancy ratio.
doi:10.1107/S1600536809018212
PMCID: PMC2969685  PMID: 21583190
21.  1-{2-Phenyl-2-[4-(trifluoro­meth­yl)­benzyl­oxy]eth­yl}-1H-benzimidazole 
The asymmetric unit of the crystal structure of the title compound, C23H19F3N2O, contains two independent mol­ecules. In the two mol­ecules the planar benzimidazole ring systems are oriented with respect to the phen­yl/trifluoro­methyl­benzene rings at dihedral angles of 9.62 (6)/78.63 (7) and 2.53 (8)/83.83 (9)°. In the crystal structure, inter­molecular C—H⋯N hydrogen bonds link the mol­ecules into R 2 2(6) dimers. The mol­ecules are elongated along [001] and stacked along the b axis.
doi:10.1107/S1600536808024033
PMCID: PMC2962243  PMID: 21203341
22.  Crystal structure of 4-eth­oxy-N-(4-eth­oxy­phen­yl)-N-phenyl­aniline 
In the title compound, C22H23NO2, the planes of the eth­oxy­benzene rings are oriented with respect to that of the phenyl ring at dihedral angles of 61.77 (8) and 84.77 (8)°, and they are twisted with respect to one another, with a dihedral angle of 80.37 (7)°. In the crystal, weak C—H⋯π inter­actions link the mol­ecules into supra­molecular chains propagating along [101].
doi:10.1107/S160053681401900X
PMCID: PMC4186099  PMID: 25309234
crystal structure; tri­phenyl­amine derivatives; supra­molecular chains; C—H⋯π inter­actions
23.  3-Ethyl-4-phen­oxy-1-(2,2,2-trifluoro­eth­yl)-1H-pyrazol-5-ol 
The title compound, C13H13F3N2O2, crystallizes with two independent mol­ecules in the asymmetric unit, with different conformations of their ethyl side chains. The dihedral angles formed between the 1H-pyrazole and benzene rings in the two mol­ecules are 79.44 (6) and 77.81 (6)°. In the crystal, mol­ecules are linked by O⋯H—N hydrogen bonds into chains propagating along [001] and the packing is further stabilized by π–π inter­actions [centroid–centroid separations = 3.5409 (10) and 3.6335 (10) Å].
doi:10.1107/S1600536810025948
PMCID: PMC3007551  PMID: 21588264
24.  (E)-N′-(3-Eth­oxy-4-hy­droxy­benzyl­idene)-4-meth­oxy­benzohydrazide 
In the mol­ecule of the title benzohydrazide derivative, C17H18N2O4, the dihedral angle between the benzene rings is 6.86 (11)°. The meth­oxy group of the 4-meth­oxy­phenyl fragment deviates slightly [Cmethyl—O—C—C = 10.0 (4)°] with respect to the benzene ring, whereas the eth­oxy group of the 3-eth­oxy-4-hy­droxy­phenyl fragment is is almost coplanar [C—O—C—Cmethyl = 178.5 (2)°]. In the crystal, mol­ecules are linked by N—H⋯O, O—H⋯O and C—H⋯O hydrogen bonds into a two-dimensional network parallel to the ab plane. C—H⋯π inter­actions and C⋯O [2.980 (3) Å] short contacts are also observed.
doi:10.1107/S1600536812007374
PMCID: PMC3297905  PMID: 22412708
25.  3-[Hy­droxy(3-meth­oxy­phen­yl)methyl­idene]-2-(2-oxo-2-phenyl­eth­yl)-3,4-dihydro-2H-1λ6,2-benzothia­zine-1,1,4-trione 
In the title mol­ecule, C24H19NO6S, the heterocyclic thia­zine ring adopts a half-chair conformation with the S and N atoms displaced by 0.180 (5) and 0.497 (5) Å, respectively, on opposite sides of the mean plane formed by the remaining ring atoms. The benzene rings of the benzothia­zine unit and the meth­oxy­phenyl group are almost coplanar, with the dihedral angle between the mean planes of these rings being 5.9 (2)°, while the benzene ring of the 2-oxo-2-phenyl­ethyl group is inclined at 79.68 (11) and 81.01 (10)°, respectively, to these rings. The mol­ecular structure is consolidated by intra­molecular O—H⋯O and C—H⋯N inter­actions, and the crystal packing is stabilized by weak C—H⋯O hydrogen bonds.
doi:10.1107/S1600536812009002
PMCID: PMC3343951  PMID: 22590032

Results 1-25 (549993)