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1.  (2,7-Di­meth­oxy­naphthalen-1-yl)(naph­thalen-1-yl)methanone 
The asymmetric unit of the title compound, C23H18O3, contains two independent mol­ecules (A and B). Each mol­ecule has essentially the same conformation (r.m.s. deviation of fitted mol­ecules = 0.173 Å) with the aromatic rings twisted in a near perpendicular manner. The dihedral angles between the two naphthalene ring systems are 79.07 (4) and 88.19 (4)° in the two independent mol­ecules. In the crystal, the A mol­ecules are connected by C—H⋯O inter­actions, forming chains along the b-axis direction. Further C—H⋯O inter­actions between the H atoms of the meth­oxy group and the O atoms of the carbonyl units link the A and B mol­ecules, forming a three-dimensional network.
doi:10.1107/S1600536813008854
PMCID: PMC3647859  PMID: 23723825
2.  (4-Eth­oxy­benzo­yl)[8-(4-eth­oxy­benzo­yl)-2,7-di­meth­oxy­naphthalen-1-yl]methanone 
The title mol­ecule, C30H28O6, possesses crystallographically imposed twofold symmetry, with two central C atoms in the naphthalene unit lying on the rotation axis along [001]. The 4-eth­oxy­benzoyl groups at the peri positions of the naphthalene ring system are disordered over two sets of sites with occupancies of 0.769 (4) and 0.231 (4). They are directed in opposite directions from the naphthalene plane (anti orientation). For the major component, the dihedral angle between the aroyl benzene ring and the naphthalene ring system is 75.62 (13)° [minor component 75.5 (4)°], and that between the aroyl benzene rings is 32.58 (15)°. In the crystal, mol­ecules are linked via C—H⋯O and C—H⋯π inter­actions, forming a three-dimensional network.
doi:10.1107/S1600536813008581
PMCID: PMC3647849  PMID: 23723815
3.  [2-(3,4-Dimethyl­benzo­yl)phen­yl](4-meth­oxy­phen­yl)methanone 
The title mol­ecule, C23H20O3, is disordered with a 180° rotation about an axis normal to the length of the mol­ecule, with the major and minor components in a 0.545 (5):0.455 (5) ratio. In the major component, the central benzene ring forms dihedral angles of 72.34 (3) and 69.46 (3)° with the dimethyl-substituted and meth­oxy-substituted benzene rings, respectively. Moreover, the central benzene ring forms dihedral angles of 50.86 (5) and 58.43 (4)° with the mean planes of the ketone groups. In the minor component, the corresponding dihedral angles between the benzene rings are 71.36 (4) and 67.94 (4)° and the dihedral angles between the benzene ring and the ketone groups are 56.44 (9) and 55.51 (8)°. In the crystal, C—H⋯O inter­actions generate a C(9) chain along the a-axis direction.
doi:10.1107/S1600536812047654
PMCID: PMC3588237  PMID: 23476413
4.  (2,4-Dihy­droxy-6-meth­oxy­phen­yl)(3,5-dihy­droxy­phen­yl)methanone monohydrate 
The title benzophenone compound, C14H12O6·H2O, was isolated from the bark of Garcinia hombroniana Pierre (Guttiferae). The mol­ecule is twisted, the dihedral angle between the two benzene rings being 59.13 (7)°. The meth­oxy group is approximately coplanar with the attached benzene ring, with a C—O—C—C torsion angle of 1.91 (18)°. The water mol­ecule is disordered over two positions in a 0.555 (19):0.445 (19) ratio. An intra­molecular O—H⋯O hydrogen bond generates an S(6) ring motif. The crystal structure is stabilized by inter­molecular O—H⋯O hydrogen bonds. These inter­actions link the mol­ecules into sheets parallel to the ac plane. The sheets are stacked along the b axis by π–π inter­actions, with centroid–centroid distances of 3.6219 (7) Å. A weak O—H⋯π inter­action was also noted.
doi:10.1107/S1600536811037913
PMCID: PMC3201278  PMID: 22065717
5.  N-(4-Meth­oxy­phen­yl)-6-methyl-2-phenyl-5-{[4-(tri­fluoro­meth­yl)anilino]meth­yl}pyrimidin-4-amine 
The title compound, C26H23F3N4O, crystallizes with two symmetry-independent mol­ecules in the asymmetric unit, denoted A and B, which differ mainly in the rotation of the meth­oxy­phenyl ring. The –CF3 group of mol­ecule B is disordered by rotation, with the F atoms split over two sets of sites; the occupancy factor for the major component is 0.853 (4). The dihedral angles between the pyrimidine ring and the attached phenyl, meth­oxy­phenyl and tri­fluoro­methyl­phenyl rings are 8.1 (2), 37.5 (2) and 70.7 (2)°, respectively, in mol­ecule A, and 9.3 (2), 5.3 (2) and 79.7 (2)° in mol­ecule B. An intra­molecular N—H⋯N hydrogen bond occurs in each mol­ecule. In the crystal, two crystallographically independent mol­ecules associate into a dimer via a pair of N—H⋯N hydrogen bonds, with a resulting R 2 2(12) ring motif and π–π stacking inter­actions [centroid–centroid distance = 3.517 (4) Å] between the pyrimidine rings. For the A mol­ecules, there are inter­molecular C—H⋯O hydrogen bonds between an aryl C atom of meth­oxy­phenyl ring and a meth­oxy O atom of an adjacent mol­ecule. A similar inter­action is lacking in the B mol­ecules.
doi:10.1107/S160053681303170X
PMCID: PMC3885078  PMID: 24454254
6.  (8-Benzoyl-2,7-dimeth­oxy­naphthalen-1-yl)(4-phen­oxy­phen­yl)methanone 
In the mol­ecule of the title compound, C32H24O5, the benzoyl group and the 4-phenoxy substituted benzoyl group at the 1- and 8-positions of the naphthalene ring system are aligned almost anti­parallel. The two benzene rings make a dihedral angle of 21.18 (10)°, and are inclined to the naphthalene ring system by 86.53 (9) and 82.95 (8)°, respectively. In the crystal, C—H⋯O inter­actions are observed involving aromatic and meth­oxy H atoms with ketonic carbonyl O atoms, as well as C—H⋯π inter­actions between aromatic H atoms and the π-systems of naphthalene and benzene rings. These interactions form a three-dimensional architecture and afford a waved alignment of the naphthalene ring systems along the c axis.
doi:10.1107/S1600536813004303
PMCID: PMC3588546  PMID: 23476579
7.  Methyl (2Z)-2-(2-fluoro-4-meth­oxy­benzyl­idene)-5-(4-meth­oxy­phen­yl)-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thia­zolo[3,2-a]pyrimidine-6-carboxyl­ate 
The asymmetric unit of the title compound, C24H21FN2O5S, consists of two crystallographically independent mol­ecules. In each mol­ecule, the central dihydro­pyrimidine ring is significantly puckered and adopts a conformation which is best described as an inter­mediate between a boat and a screw boat. The least-squares planes of the dihydro­pyrimidine rings are almost coplanar with the fluoro-substituted benzene rings, making dihedral angles of 9.04 (7) and 6.68 (7)°, and almost perpendicular to the meth­oxy-substituted benzene rings with dihedral angles of 89.23 (7) and 88.30 (7)°. In the mol­ecular structure, S(6) ring motifs are formed by C—H⋯O and C—H⋯S hydrogen bonds. In the crystal, mol­ecules are linked into a three-dimensional network by inter­molecular C—H⋯O and C—H⋯F hydrogen bonds. The crystal structure is further stabilized by a C—H⋯π inter­action.
doi:10.1107/S1600536811025141
PMCID: PMC3212305  PMID: 22090962
8.  (4-Meth­oxy­phen­yl)(4-propyl­cyclo­hex­yl)methanone 
The asymmetric unit of the title compound, C17H24O2, contains two independent mol­ecules with different conformations. The least-squares plane through the cyclohexane ring makes dihedral angles of 52.9 (5) and 81.4 (4)° with the benzene ring in the two molecules. The cyclo­hexane ring adopts a chair conformation in both mol­ecules. In the crystal, weak C—H⋯O hydrogen bonds link mol­ecules related by translation in [100] into two crystallographically independent chains.
doi:10.1107/S1600536813003644
PMCID: PMC3588551  PMID: 23476585
9.  4-Amino-3-(3-meth­oxy­benz­yl)-1H-1,2,4-triazole-5(4H)-thione 
In the title mol­ecule, C10H12N4SO, the triazole ring forms a dihedral angle of 73.0 (5)° with the benzene ring. The meth­oxy group is approximtely coplanar with the benzene ring with a C C—O—Cmeth­yl torsion angle of 4.7 (3)°. In the crystal, N—H⋯S hydrogen bonds connect pairs of inversion-related mol­ecules, which are in turn connected by N—H⋯N hydrogen bonds into chains of rings along [010]. Weak C—H⋯O hydrogen bonds connect these chains into a two-dimensional network parallel to (-102).
doi:10.1107/S1600536813009859
PMCID: PMC3648260  PMID: 23723880
10.  (E)-4-Meth­oxy-N′-(3,4,5-trimeth­oxy­benzyl­idene)benzohydrazide 
In the asymmetric unit of the title compound, C18H20N2O5, there are two crystallographic independent mol­ecules. Both mol­ecules are twisted; the dihedral angle between the two benzene rings is 7.2 (5)° in one mol­ecule, whereas it is 85.9 (4)° in the other. Of the three meth­oxy groups in the 3,4,5-trimeth­oxy­phenyl unit, two meth­oxy groups at meta positions are approximately coplanar with the benzene plane [C—O—C—C torsion angles of −2.3 (13)–4.8 (11)°], but the other meth­oxy, at the para position, is out of the plane [C—O—C—C of 72.8 (9)° in one mol­ecule and −77.5 (9)° in the other]. In the crystal, mol­ecules are linked by N—H⋯O hydrogen bonds and weak C—H⋯O inter­actions into tapes along the b axis. C—H⋯π inter­actions are also present.
doi:10.1107/S1600536812003534
PMCID: PMC3297292  PMID: 22412482
11.  1-(2-Furo­yl)-3-(2-meth­oxy-4-nitro­phen­yl)thio­urea 
The asymmetric unit of the title compound, C13H11N3O5S, contains two independent mol­ecules, which are linked by a pair of inter­molecular N—H⋯S hydrogen bonds, forming an R 2 2(8) ring motif. The central thio­urea core forms dihedral angles of 3.02 (12) and 14.00 (10)° with the essentially planar furoyl groups [maximum deviations = 0.030 (2) and 0.057 (2) Å] in the two mol­ecules and dihedral angles of 2.43 (13) and 8.03 (12)° with the benzene rings. The dihedral angles between the furoyl and benzene rings in the two mol­ecules are 3.97 (10) and 5.98 (9)°. The trans–cis geometry of the thio­urea group is stabilized by three intra­molecular N—H⋯O hydrogen bonds involving carbonyl and meth­oxy O atoms with the H atom of the cis-thio­amide group and between furan O atom and the other thio­amide H atom. There is also a weak intra­molecular C—H⋯S inter­action in each mol­ecule.
doi:10.1107/S1600536813002894
PMCID: PMC3588461  PMID: 23476526
12.  (4-Chloro­phen­yl)(3,6-dibromo-2-hy­droxy-7-meth­oxy-1-naphth­yl)methanone 
The asymmetric unit of the title compound, C18H11Br2ClO3, contains two crystallographically independent mol­ecules in which the dihedral angles between the naphthalene ring systems and the benzene rings are 55.64 (11) and 60.50 (11)°. In each mol­ecule, an intra­molecular O—H⋯O=C hydrogen bond generates a six-membered ring. In the crystal structure, inter­molecular C—H⋯O and C—H⋯Cl hydrogen bonds and two different Br⋯O halogen bonds [2.9850 (19) and 3.2169 (19) Å] are observed.
doi:10.1107/S1600536810023299
PMCID: PMC3007072  PMID: 21587976
13.  1-[(3-Benz­yloxy-2-nitro­phen­oxy)meth­yl]benzene 
The asymmetric unit of the title compound, C20H17NO4, consists of two crystallographically independent mol­ecules. In one of the mol­ecules, the central benzene ring forms dihedral angles of 2.26 (6) and 58.68 (6)° with the terminal benzene rings and the dihedral angle between the terminal benzene rings is 56.45 (6)°. The corresponding values for the other mol­ecule are 35.17 (6), 70.97 (6) and 69.62 (6)°, respectively. In the crystal, an inversion dimer linked by a pair of C—H⋯O hydrogen bonds occurs for one of the unique mol­ecules. C—H⋯π and π–π [centroid–centroid distances = 3.7113 (8) and 3.7216 (7) Å] inter­actions link the components into a three-dimensional network.
doi:10.1107/S1600536812029194
PMCID: PMC3414184  PMID: 22904791
14.  9-[(2-Meth­oxy­benz­yl)amino]-5-(3,4,5-trimeth­oxy­phen­yl)-5,5a,8a,9-tetra­hydro­furo[3′,4′:6,7]naphtho­[2,3-d][1,3]dioxol-6(8H)-one 
In the title compound, C30H31NO8, the tetra­hydro­furan ring and the six-membered ring fused to it both display envelope conformations, both having the same C atom as the flap. The dihedral angles between the benzene ring of the benzo[d][1,3]dioxole ring system and the other two benzene rings are 53.73 (3) and 83.30 (2)°. An intra­molecular N—H⋯O hydrogen bond is present. In the crystal, weak inter­molecular C—H⋯O hydrogen bonds link the mol­ecules into chains parallel to the c axis.
doi:10.1107/S160053681202572X
PMCID: PMC3393313  PMID: 22807870
15.  (4S,5R)-4-Benz­yloxy-5-[4-(cyclo­hexa­ne­carbon­yl)phen­yl]-1-(4-meth­oxy­benz­yl)pyrrolidin-2-one 
The title compound, C32H35NO4, is an unexpected product obtained in the SmI2-mediated radical cross-coupling of a lactam 2-pyridyl sulfone with an arone. The asymmetric unit contains two mol­ecules. In both mol­ecules, the core pyrrolidinone ring adopts an approximate envelope conformation (with the C atom bearling the benzyloxy substituent as the flap) and the cyclo­hexyl ring has a chair conformation. The relative orientation of the two substitutent groups at the 4- and 5-positions of the pyrrolidinone ring is anti in both mol­ecules, with O(benz­yloxy)—C—C—C(benzene) torsion angles of 150.8 (3) and 154.2 (2)°. In the crystal, C—H⋯O inter­actions involving carbonyl groups as acceptors lead to the formation of a tape motif propagating parallel to the a-axis direction.
doi:10.1107/S1600536814003638
PMCID: PMC3998611  PMID: 24826132
16.  1,8-Bis(4-amino­benzo­yl)-2,7-dimeth­oxy­naphthalene 
The title compound {systematic name: [8-(4-aminobenzoyl)-2,7-dimethoxynaphthalen-1-yl](4-aminophenyl)methanone}, C26H22O4N2, possesses crystallographically imposed twofold symmetry, with two C atoms lying on the rotation axis. In the crystal, the mol­ecules inter­act through inter­molecular N—H⋯O hydrogen bonds between the amino and meth­oxy groups on the naphthalene ring systems and N—H⋯π inter­actions between the amino groups and the naphthalene rings. Furthermore, weak C—H⋯O hydrogen bonds and π–π stacking inter­actions between the benzene rings are observed. The centroid–centroid and inter­planar distances between the benzene rings of the aroyl group and the naphthalene ring systems of adjacent mol­ecules are 3.6954 (8) and 3.2375 (5) Å, respectively. The dihedral angle between the mean planes of the benzene ring and the naphthalene ring system is 83.59 (5)°. The benzene ring and the carbonyl group in the benzoyl unit are almost coplanar [C—C—C—O torsion angle = 175.91 (10)°].
doi:10.1107/S1600536810041346
PMCID: PMC3009325  PMID: 21589080
17.  [2,7-Dimeth­oxy-8-(4-meth­oxy­benzo­yl)naphthalen-1-yl](4-meth­oxy­phen­yl)methanone chloro­form monosolvate 
In the title compound, C28H24O6·CHCl3, the two 4-meth­oxy­benzoyl groups at the 1- and 8-positions of the naphthalene ring system are aligned almost anti­parallel, the benzene rings making a dihedral angle of 25.76 (7)°. The naphthalene ring system makes dihedral angles of 72.51 (7) and 73.33 (7)° with the benzene rings. In the crystal, the naphthalene mol­ecules are linked by C—H⋯O inter­actions, forming a helical chain along the b-axis direction. A C—H⋯Cl inter­action is also observed between the aroylated naphthalene and chloro­form mol­ecules. The chloro­form mol­ecule is disordered over two positions with site occupancies of 0.478 (5) and 0.522 (5).
doi:10.1107/S1600536812050799
PMCID: PMC3588358  PMID: 23476400
18.  (E)-1-(2,4-Dinitro­phen­yl)-2-[1-(3-meth­oxy­phen­yl)ethyl­idene]hydrazine 
There are two crystallographically independent mol­ecules in the asymmetric unit of the title compound, C15H14N4O5, with different conformations for the meth­oxy groups. The mol­ecules are both slightly twisted, the dihedral angles between two benzene rings being 8.37 (18)° in one and 7.31 (18)° in the other. In both mol­ecules, the two nitro groups are essentially coplanar with their bound benzene ring, with the r.m.s. deviation of the dinitro­benzene plane being 0.0310 (3) Å in one mol­ecule and 0.0650 (3) Å in the other. In each mol­ecule, an intra­molecular N—H⋯O hydrogen bond generates an S(6) ring motif. In the crystal, mol­ecules are linked by weak C—H⋯O inter­actions and stacked along the a axis through π–π inter­actions, with centroid–centroid distances of 3.651 (2) and 3.721 (2) Å. The crystal studied was a non-merohedral twin with a refined minor component of 20.1 (3)%.
doi:10.1107/S1600536812026979
PMCID: PMC3393954  PMID: 22798819
19.  (2-Hy­droxy-7-meth­oxy­naphthalen-1-yl)(4-methyl­phen­yl)methanone 
In the title compound, C19H16O3, an intra­molecular O—H⋯O=C hydrogen bond is formed between the hy­droxy and carbonyl groups on the naphthalene ring system, resulting in an S(6) ring. The angles between the C=O bond vector and the least-squares planes of the naphthalene ring system and the benzene ring are 27.63 (6) and 47.99 (7)°, respectively. The dihedral angle between the latter planes is 61.39 (5)°. In the crystal, two mol­ecules are connected by pairs of inter­molecular O—H⋯O=C hydrogen bonds, forming centrosymmetric dimers with an R 2 2(4) graph-set motif. The mol­ecular packing features C—H⋯π interactions.
doi:10.1107/S1600536810040614
PMCID: PMC3009359  PMID: 21589009
20.  (4-Chloro­phen­yl)[1-(4-methoxy­phen­yl)-3-(5-nitro-2-fur­yl)-1H-pyrazol-4-yl]methanone 
In the title compound, C21H14ClN3O5, an intra­molecular C—H⋯O hydrogen bond generates an S(7) ring motif and the furan and pyrazole rings are almost coplanar, making a dihedral angle of 1.98 (5)°. The pyrazole ring is inclined at dihedral angles of 47.59 (4) and 7.27 (4)° to the chloro­phenyl and methoxy­phenyl groups, respectively. The nitro group is almost coplanar to its attached furan ring [dihedral angle = 2.03 (12)°]. In the crystal, inter­molecular C—H⋯O hydrogen bonds link the mol­ecules into a three-dimensional network. The crystal structure also features short inter­molecular O⋯N [2.8546 (12) Å] and Cl⋯O [3.0844 (9) Å] contacts as well as aromatic π–π stacking inter­actions [centroid–centroid distance = 3.4367 (6) Å].
doi:10.1107/S1600536810011931
PMCID: PMC2979246  PMID: 21579120
21.  (4-Bromo­phen­yl)(3,6-dimeth­oxy-2-naphth­yl)methanone 
In the title compound, C19H15BrO3, the dihedral angle between the naphthalene ring system and the benzene ring is 62.51 (8)°. The bridging carbonyl C—C(=O)—C plane makes dihedral angles of 47.07 (6)° with the naphthalene ring system and 24.20 (10)° with the benzene ring. A weak inter­molecular C—H⋯O hydrogen bond exists between the H atom of one meth­oxy group and the O atom of the other meth­oxy group in an adjacent mol­ecule. The crystal packing is additionally stabilized by two types of weak inter­molecular inter­actions involving the Br atom, C—H⋯Br and Br⋯O [3.2802 (14) Å].
doi:10.1107/S160053681004016X
PMCID: PMC3009183  PMID: 21588992
22.  {2,7-Dimeth­oxy-8-[4-(propan-2-yl­oxy)benzo­yl]naphthalen-1-yl}[4-(propan-2-yl­oxy)phen­yl]methanone 
The title compound, C32H32O6, crystallized with two independent molecules in the asymmetric unit. Each molecule has essentially the same feature of non-coplanar aromatic rings whereby the two 4-isopropoxybenzoyl groups are twisted in a perpendicular manner to the naphthalene ring and oriented in the same direction (syn-orientation). The benzene rings of the aroyl groups make dihedral angles of 16.13 (7) and 25.31 (7)° in the two molecules. These benzene rings make dihedral angles of 88.38 (8) and 75.32 (7)° with the naphthalene ring system in one molecule, and 89.71 (7) and 82.11 (7)° in the other. In the crystal, mol­ecules are linked via C—H⋯O hydrogen bonds, forming a three-dimensional network. In one independent molecule, the 2-propyl groups of both isoprop­oxy groups are disordered over two positions with site occupancies of 0.512 (3) and 0.488 (3).
doi:10.1107/S1600536813004959
PMCID: PMC3588464  PMID: 23476613
23.  (E)-3-(8-Benz­yloxy-2,3-dihydro-1,4-benzodioxin-6-yl)-1-[2-hy­droxy-4,6-bis­(meth­oxy­meth­oxy)phen­yl]prop-2-en-1-one 
In the title mol­ecule, C28H28O9, the phenol and the benzene rings adjacent to the α,β-unsaturated ketone unit are inclined at 9.15 (13)° to each other. The terminal phenyl ring is oriented with respect to the phenol ring at a dihedral angle of 85.88 (13)°. In the crystal, the methyl­ene C atoms of the dihydro­dioxine ring are disordered over two sites with an occupancy ratio of 0.463 (18):0.537 (18), and both disordered components of the dihydro­dioxine ring adopt twisted-chair conformations. An intra­molecular O—H⋯O hydrogen bond and weak inter­molecular C—H⋯O hydrogen bonds are present in the crystal structure.
doi:10.1107/S160053681100924X
PMCID: PMC3100013  PMID: 21754185
24.  {2-[(2-Bromo-5-meth­oxy­benzyl­idene)amino]-4,5,6,7-tetra­hydro­benzo[b]thiophen-3-yl}(phen­yl)methanone 
In the title compound, C23H20BrNO2S, disorder was modeled for the outer two C atoms of the cyclo­hexene ring over two sets of sites with an occupancy ratio of 0.580 (11):0.420 (11). Both rings have a half-chair conformation. The dihedral angles between the mean plane of the thio­phene ring and the benzene and phenyl rings are 9.2 (2) and 66.1 (2)°, respectively. The benzene and phenyl rings are inclined to each other by 74.8 (8)°. In the crystal, mol­ecules are linked by pairs of C—H⋯O hydrogen bonds, forming inversion dimers.
doi:10.1107/S1600536814008290
PMCID: PMC4011278  PMID: 24860382
25.  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

Results 1-25 (165799)