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1.  Crystal structure of 5-chloro-2,4,6-trimethyl-3-(4-methyl­phenyl­sulfin­yl)-1-benzo­furan 
In the title compound, C18H17ClO2S, the dihedral angle between the planes of the benzo­furan ring [r.m.s. deviation = 0.013 (1) Å] and the 4-methyl­phenyl ring is 87.37 (5)°. In the crystal, mol­ecules are linked by C—H⋯O hydrogen bonds and π–π inter­actions between the furan and benzene rings of neighbouring mol­ecules [centroid–centroid distance = 3.525 (2) Å]. In addition, an S⋯S [3.6584 (9) Å] contact is observed.
doi:10.1107/S160053681402385X
PMCID: PMC4257403  PMID: 25553017
crystal structure; benzo­furan; 4-methyl­phen­yl; C—H⋯O and C—H⋯π hydrogen bonds; π–π and S⋯S inter­actions
2.  Crystal structure of 2,5-dimethyl-3-(2-methyl­phenyl­sulfon­yl)-1-benzo­furan 
The title compound, C17H16O3S, crystallized with two independent mol­ecules (A and B) in the asymmetric unit. The dihedral angle between the benzo­furan ring system [r.m.s. deviation of 0.013 (1) for A and 0.009 (1) Å for B] and the 2-methyl­phenyl ring is 83.88 (5) for A and 86.94 (5)° for B. In the crystal, the B mol­ecules are linked into a chain along the b-axis direction by C—H⋯O hydrogen bonds. The A mol­ecules are connected on either side of this chain by further C—H⋯O hydrogen bonds. These chains are linked via C—H⋯π inter­actions, forming sheets parallel to (100). There are also very weak π–π inter­actions present [centroid–centroid distance = 3.925 (11) Å] involvingthe 2-methyl­phenyl rings of neighbouring A and B mol­ecules.
doi:10.1107/S1600536814022788
PMCID: PMC4257330  PMID: 25484818
crystal structure; benzo­furan; 2-methyl­phen­yl; sulfon­yl; C—H⋯O hydrogen bonds; C—H⋯π inter­actions; π–π inter­actions
3.  Crystal structure of 2-(3-fluoro­phen­yl)-5-iodo-3-methyl­sulfinyl-1-benzo­furan 
In the title compound, C15H10FIO2S, the dihedral angle between the planes of the benzo­furan ring system [r.m.s. deviation = 0.015 (2) Å] and the 3-fluoro­phenyl ring is 29.63 (7)°. In the crystal, mol­ecules are linked into inversion dimers along the b-axis direction by two different pairs of C—H⋯O hydrogen bonds and I⋯O [3.228 (1) Å] contacts.
doi:10.1107/S1600536814022569
PMCID: PMC4257291  PMID: 25484809
crystal structure; benzo­furan; 3-fluoro­phen­yl; C—H⋯O hydrogen bonds; I⋯O contacts
4.  Crystal structure of 5-fluoro-2-(3-fluoro­phen­yl)-3-methyl­sulfinyl-1-benzo­furan 
In the title compound, C15H10F2O2S, the dihedral angle between the planes of the benzo­furan ring system [r.m.s. deviation = 0.015 (1) Å] and the 3-fluoro­phenyl ring is 26.60 (5)°. In the crystal, mol­ecules are linked by C—H⋯O and C—H⋯F hydrogen bonds, and by π–π inter­actions between the benzo­furan rings of inversion-related mol­ecules [centroid(benzene)–centroid(furan) distance = 3.819 (2) Å], forming a three-dimensional network.
doi:10.1107/S160053681402251X
PMCID: PMC4257342  PMID: 25484808
crystal structure; benzo­furan; 3-fluoro­phen­yl; π–π inter­actions.
5.  Crystal structure of 3-(4-bromo­phenyl­sulfon­yl)-2,5,6-trimethyl-1-benzo­furan 
In 3-(4-bromo­phenyl­sulfon­yl)-2,5,6-trimethyl-1-benzo­furan, mol­ecules are linked into a chain along the b-axis direction by C—H⋯π hydrogen bonds and C—Br⋯π inter­actions.
In the title compound, C17H15BrO3S, the dihedral angle between the planes of the benzo­furan ring system [r.m.s. deviation = 0.015 (2) Å] and the 4-bromo­phenyl ring is 89.29 (6)°. In the crystal, mol­ecules are linked into a chain along the b-axis direction by C—H⋯π hydrogen bonds and C—Br⋯π [3.626 (1) Å] inter­actions.
doi:10.1107/S1600536814022119
PMCID: PMC4257238  PMID: 25484735
crystal structure; benzo­furan; 4-bromo­phen­yl; Br⋯π contacts and and C—H⋯π hydrogen bonds.
6.  Crystal structure of 3-(2-bromo­phenyl­sulfon­yl)-2,5,7-trimethyl-1-benzo­furan 
In the title compound, C17H15BrO3S, the dihedral angle between the planes of the benzo­furan ring system [r.m.s. deviation = 0.016 (2) Å] and the 2-bromo­phenyl ring is 82.93 (6)°. In the crystal, mol­ecules are linked via pairs of C—H⋯π hydrogen bonds and π–π inter­actions between the benzene and furan rings of neighbouring mol­ecules [centroid–centroid distance = 3.881 (2) Å] into inversion-related dimers along the b-axis direction. These dimers are further linked by short Br⋯O [3.185 (2) Å] contacts.
doi:10.1107/S1600536814021850
PMCID: PMC4257325  PMID: 25484796
crystal structure; benzo­furan; 2-bromo­phen­yl; C—H⋯π hydrogen bonds; π–π inter­actions; Br⋯O contact
7.  Crystal structure of 2-ethyl-3-(4-fluoro­phenyl­sulfon­yl)-5,7-dimethyl-1-benzo­furan 
In the title compound, the dihedral angle between the plane of the benzo­furan ring and the 4-fluoro­phenyl ring is 82.45 (4)°. In the crystal, mol­ecules are linked via three different pairs of C—H⋯O hydrogen bonds, forming chains along [001] and enclosing two (10) and one (12) ring motifs.
In the title compound, C18H17FO3S, the dihedral angle between the plane of the benzo­furan ring [r.m.s. deviation = 0.006 (1) Å] and that of the 4-fluoro­phenyl ring [r.m.s. deviation = 0.004 (1) Å] is 82.45 (4)°. In the crystal, mol­ecules are linked via three different pairs of C—H⋯O hydrogen bonds, forming chains along [001] and enclosing two R 2 2(10) and one R 2 2(12) ring motifs. The chains are further linked by π–π inter­actions [inter-centroid distance = 3.566 (1) Å] between the furan rings of inversion-related mol­ecules, forming a two-dimensional network lying parallel to (100).
doi:10.1107/S1600536814019436
PMCID: PMC4257170  PMID: 25484665
crystal structure; benzo­furan; 4-fluoro­phen­yl; sulfon­yl; hydrogen bonds; π–π inter­actions.
8.  Crystal structure of 5-chloro-3-(4-fluoro­phenyl­sulfin­yl)-2,4,6-trimethyl-1-benzo­furan 
In the title compound, C17H14ClFO2S, the dihedral angle between the mean planes of the benzo­furan ring system [maximum deviation = 0.037 (2) Å] and the 4-fluoro­benzene ring is 71.92 (5)°. An intra­molecular C—H⋯O hydrogen bond occurs. In the crystal, mol­ecules are linked by π–π stacking between the benzene rings of neighbouring mol­ecules [centroid–centroid distance = 3.7103 (10) Å]. These mol­ecules are further linked by C—S⋯π [S⋯centroid = 3.570 (1) Å] and C—H⋯O inter­actions, resulting in a three-dimensional supra­molecular network.
doi:10.1107/S1600536814019229
PMCID: PMC4257165  PMID: 25484681
crystal structure; benzo­furan; 4-fluoro­phen­yl; π–π inter­actions; C—S⋯π and C—H⋯O inter­actions
9.  Crystal structure of 5-chloro-3-cyclo­hexyl­sulfinyl-2,4,6-trimethyl-1-benzo­furan 
In the title compound, C17H21ClO2S, the cyclo­hexyl ring adopts a chair conformation with the C—S bond in an equatorial orientation. In the crystal, mol­ecules are linked by C—H⋯O and C—H⋯π hydrogen bonds and a Cl⋯π [3.594 (2) Å] contact into chains along the a-axis direction.
doi:10.1107/S1600536814019217
PMCID: PMC4186066  PMID: 25309229
crystal structure; benzo­furan; cyclo­hex­yl; C—H⋯O hydrogen bonds; C—H⋯π inter­actions
10.  5-Chloro-3-(4-fluoro­phenyl­sulfon­yl)-2,7-dimethyl-1-benzo­furan 
In the title compound, C16H12ClFO3S, the dihedral angle between the plane of the benzo­furan ring system [r.m.s. deviation = 0.007 (1) Å] and that of the 4-fluoro­phenyl ring is 76.11 (5)°. In the crystal, mol­ecules are linked into [010] chains via two different inversion-generated pairs of C—H⋯O hydrogen bonds. The crystal structure also exhibits weak π–π inter­actions between the benzene and furan rings of neighbouring mol­ecules [centroid–centroid distance = 3.820 (2) Å].
doi:10.1107/S1600536814019114
PMCID: PMC4186078  PMID: 25309228
crystal structure; benzo­furan; 4-fluoro­phen­yl; C–H⋯O hydrogen bonds; π–π inter­actions
11.  Crystal structure of 2,5-dimethyl-3-(3-methyl­phenyl­sulfon­yl)-1-benzo­furan 
In the title compound, C17H16O3S, the dihedral angle between the plane of the benzo­furan ring system [r.m.s. deviation = 0.010 (1) Å] and that of the 3-methyl­phenyl ring is 79.09 (5)°. Intra­molecular C—H⋯O hydrogen bonds are observed. In the crystal, mol­ecules are connected into a chain along the c-axis direction by two different pairs of inversion-generated inter­actions: C—H⋯π hydrogen bonds between the methyl groups and the benzene rings of the 3-methyl­phenyl fragments and π–π inter­actions between the benzene and furan rings of neighbouring mol­ecules [centroid–centroid distance = 3.673 (2) Å].
doi:10.1107/S1600536814019369
PMCID: PMC4186096  PMID: 25309232
crystal structure; benzo­furan; 3-methyl­phen­yl; C—H⋯π hydrogen bonds; π–π inter­actions
12.  Crystal structure of 2-ethyl-3-(4-fluoro­phenyl­sulfin­yl)-5,7-dimethyl-1-benzo­furan 
In the title compound, C18H17FO2S, the dihedral angle between the planes of the benzo­furan ring system (r.m.s. deviation = 0.004 Å) and the 4-fluoro­phenyl ring is 86.38 (6)°. The terminal C atom of the ethyl substituent is displaced by 1.444 (3) Å from the benzo­furan ring system to the same side of the mol­ecule as the 4-fluoro­phenyl ring. In the crystal, mol­ecules are linked via pairs of C—H⋯π inter­actions into inversion-related dimers. These dimers are further linked by π–π inter­actions between the benzene rings of neighbouring mol­ecules [centroid–centroid distance = 3.715 (3) Å] and between the furan rings of neighbouring mol­ecules [centroid–centroid distance = 3.598 (3) Å]. The mol­ecules are stacked along the a-axis direction. In the sulfinyl group, the S and O atoms are disordered over two sets of sites, with site-occupancy factors of 0.797 (3) and 0.213 (3).
doi:10.1107/S1600536814019023
PMCID: PMC4186098  PMID: 25309224
crystal structure; benzo­furan; 4-fluoro­phen­yl; π–π inter­actions; sulfinyl group; natural products
13.  Crystal structure of 5-iodo-2-methyl-3-[(4-methyl­phenyl)­sulfon­yl]-1-benzo­furan 
In the title compound, C16H13IO3S, the dihedral angle between the planes of the benzo­furan ring system [r.m.s. deviation = 0.015 (2) Å] and the 4-methyl­phenyl ring is 70.35 (5)°. In the crystal, mol­ecules are linked by pairs of π–π inter­actions between the furan and benzene rings, with centroid–centroid distances of 3.667 (3) and 3.701 (3) Å. The mol­ecules stack along the a-axis direction. In addition, pairs of C—H⋯O hydrogen bonds between inversion-related dimers [which generate R 2 2(10) loops] and a short I⋯I [3.7534 (3) Å] contact are observed.
doi:10.1107/S1600536814018510
PMCID: PMC4186123  PMID: 25309207
crystal structure; benzo­furan; 4-methyl­phen­yl; π–π inter­actions; C—H⋯O hydrogen bonds; I⋯I inter­actions
14.  Crystal structure of 5-chloro-2,7-dimethyl-3-[(4-methyl­phenyl)­sulfon­yl]-1-benzo­furan 
In the title compound, C17H15ClO3S, the dihedral angle between the planes of the benzo­furan ring system [r.m.s. deviation = 0.008 Å] and the 4-methyl­phenyl ring is 77.29 (4)°. In the crystal, mol­ecules are linked by π–π inter­actions between the benzene rings of neighbouring mol­ecules [centroid–centroid distance = 3.847 (2) Å] and between the benzene and furan rings of neighbouring mol­ecules [centroid–centroid distance = 3.743 (2) Å]. The mol­ecules are stacked along the a-axis direction. In addition, pairs of C—H⋯O hydrogen bonds are observed between inversion-related dimers: these generate R 2 2(12) loops.
doi:10.1107/S1600536814018339
PMCID: PMC4186162  PMID: 25309201
crystal structure; benzo­furan; 4-methyl­phen­yl; C—H⋯O hydrogen bonds; π–π inter­actions
15.  Crystal structure of 7-bromo-2-(3-fluoro­phen­yl)-1-(methyl­sulfin­yl)naphtho[2,1-b]furan 
In the title compound, C19H11BrFO2S, the dihedral angle between the plane of the naphtho­furan ring system [r.m.s. deviation = 0.043 (2) Å] and that of the 3-fluoro­benzene ring is 39.32 (8)°. In the crystal, mol­ecules are linked by C—H⋯O and C—Br⋯π [3.835 (1) Å] inter­actions into stacks along the c axis, forming a three-dimensional network. The F atom is disordered over two positions, with site-occupancy factors of 0.851 (3) and 0.149 (3).
doi:10.1107/S160053681401808X
PMCID: PMC4186200  PMID: 25309191
crystal structure; naphtho­furan; 3-fluoro­benzene; C—H⋯O inter­actions; C—Br⋯π inter­actions
16.  Crystal structure of 5-chloro-2-(3-fluoro­phen­yl)-3-methyl­sulfinyl-1-benzo­furan 
In the title compound, C15H10ClFO2S, the dihedral angle between the plane of the benzo­furan ring system [r.m.s. deviation = 0.013 (1) Å] and that of the 3-fluoro­phenyl ring [r.m.s. deviation = 0.005 (1) Å] is 31.36 (5)°. In the crystal, mol­ecules are linked by two different pairs of C—H⋯O hydrogen bonds, forming inversion dimers.
doi:10.1107/S1600536814017966
PMCID: PMC4186186  PMID: 25309297
crystal structure; benzo­furan; 3-fluoro­phen­yl; C—H⋯O hydrogen bonds
17.  5-Fluoro-2-(2-fluoro­phen­yl)-3-methyl­sulfinyl-1-benzo­furan 
In the title compound, C15H10F2O2S, the dihedral angle between the plane of the benzo­furan ring system (r.m.s. deviation = 0.015 Å) and that of the 2-fluoro­phenyl ring is 28.53 (6)°. In the crystal, mol­ecules are linked by C—H⋯O and C—H⋯F hydrogen bonds, and by π–π inter­actions between the furan and benzene rings of neighbouring mol­ecules [centroid–centroid distance = 3.625 (2) Å], forming a three-dimensional network.
doi:10.1107/S1600536814014810
PMCID: PMC4120583  PMID: 25161603
crystal structure
18.  3-(4-Fluoro­phenyl­sulfin­yl)-2,4,5,6-tetra­methyl-1-benzo­furan 
In the title compound, C18H17FO2S, the dihedral angle between the plane of the benzo­furan ring system (r.m.s. deviation = 0.013 Å) and that of the 4-fluoro­phenyl ring is 74.30 (5)°. In the crystal, weak C—H⋯O and C—H⋯F hydrogen bonds link the mol­ecules into columns extending in direction [100].
doi:10.1107/S1600536814014822
PMCID: PMC4120585  PMID: 25161604
crystal structure
19.  5-Bromo-3-ethyl­sulfinyl-2-(4-methyl­phen­yl)-1-benzo­furan 
In the title compound, C17H15BrO2S, the dihedral angle between the plane of the benzo­furan ring system [r.m.s. deviation = 0.004 (3) Å] and that of the 4-methyl­phenyl ring is 0.9 (2)°. In the crystal, mol­ecules are linked by C—H⋯O, C—H⋯π and Br⋯π [3.636 (2) Å] inter­actions, and by π–π inter­actions between the 4-methyl­phenyl and furan rings of neighbouring mol­ecules [centroid–centroid distance = 3.650 (2) Å], forming a three-dimensional network.
doi:10.1107/S1600536814014470
PMCID: PMC4120618  PMID: 25161589
crystal structure
20.  5-Chloro-2-(2-fluoro­phen­yl)-7-methyl-3-methyl­sulfinyl-1-benzo­furan 
In the title compound, C16H12ClFO2S, the dihedral angle between the mean planes of the benzo­furan and 2-fluoro­phenyl rings is 34.85 (6)°. In the crystal, mol­ecules are linked via pairs of C—H⋯O hydrogen bonds, forming zigzag chains along [001]. The chains are linked by C—H⋯π inter­actions, forming a three-dimensional structure.
doi:10.1107/S1600536814011635
PMCID: PMC4051088  PMID: 24940278
21.  5-Cyclo­hexyl-2-methyl-3-(3-methyl­phenyl­sulfin­yl)-1-benzo­furan 
In the title compound, C22H24O2S, the cyclo­hexyl ring adopts a chair conformation. The dihedral angle between the mean planes of the benzo­furan and 3-methyl­phenyl moieties is 86.48 (4)°. In the crystal, mol­ecules are connected along the a-axis direction by two different inversion-generated pairs of C—H⋯π and C—H⋯O inter­actions.
doi:10.1107/S1600536814011192
PMCID: PMC4051005  PMID: 24940267
22.  2-(2-Fluoro­phen­yl)-5-iodo-7-methyl-3-methyl­sulfinyl-1-benzo­furan 
In the title compound, C16H12FIO2S, the dihedral angle between the plane of the benzo­furan ring system (r.m.s. deviation = 0.023 Å) and that of the 2-fluoro­phenyl ring is 39.78 (7)°. In the crystal, mol­ecules are linked via pairs of I⋯π contacts [3.812 (2) Å] and a π–π inter­action between the benzene rings of neighbouring mol­ecules [centroid–centroid distance = 3.821 (2) Å] into inversion dimers. These dimers are further linked by π–π inter­actions between the furan and benzene rings of neighbouring mol­ecules [centroid–centroid distance = 3.668 (2) Å]. The mol­ecules stack along the a-axis direction. In addition, C—H⋯O hydrogen bonds are observed between inversion-related dimers.
doi:10.1107/S1600536814010459
PMCID: PMC4051089  PMID: 24940242
23.  5-Cyclo­pentyl-2-methyl-3-(4-methyl­phenyl­sulfon­yl)-1-benzo­furan 
In the title compound, C21H22O3S, the cyclo­pentyl ring adopts a twist conformation. The dihedral angle between the mean planes of the benzo­furan and 4-methyl­phenyl rings is 72.38 (6)°. In the crystal, mol­ecules are linked by C—H⋯O and C—H⋯π inter­actions, forming a three-dimensional supra­molecular network.
doi:10.1107/S160053681400868X
PMCID: PMC4011272  PMID: 24860390
24.  5-Chloro-2,7-dimethyl-3-(3-methyl­phenyl­sulfon­yl)-1-benzo­furan 
In the title compound, C17H15ClO3S, the dihedral angle between the mean planes of the benzo­furan and 3-methyl­phenyl rings is 76.99 (4)°. In the crystal, mol­ecules are linked by C—H⋯O hydrogen bonds into chains along the b-axis direction. These chains are linked by π–π inter­actions between the benzene and furan rings of neighbouring mol­ecules [centroid–centroid distance = 3.976 (2) Å].
doi:10.1107/S1600536814007892
PMCID: PMC4011214  PMID: 24860373
25.  5-Bromo-2,7-dimethyl-3-(3-methyl­phenyl­sulfon­yl)-1-benzo­furan 
In the title compound, C17H15BrO3S, the dihedral angle between the mean planes of the benzo­furan and 3-methyl­phenyl rings is 77.37 (5)°. In the crystal, mol­ecules are linked via pairs of Br⋯O [Br⋯O = 3.335 (2) Å] contacts into inversion dimers. These dimers are further linked by C—H⋯O hydrogen bonds and π–π inter­actions between the benzene and furan rings of neighbouring mol­ecules [centroid–centroid separation = 3.884 (3) Å] into supra­molecular chains running along the a-axis direction.
doi:10.1107/S1600536814008149
PMCID: PMC4011232  PMID: 24860372

Results 1-25 (322)