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1.  N,N,N′,N′-Tetra­methyl­ethylene­diammonium tetra­chlorido­zincate 
The asymmetric unit of the title compound, (C6H18N2)[ZnCl4], consists of one tetra­chlorido­zincate anion and two half-N,N,N′N′-tetra­methyl­ethylenedi­ammonium cations. Each of the two di­ammonium cations is located about an inversion center and one of them is disordered over two sets of sites in a 0.780 (17):0.220 (17) ratio. The ZnII atom has a slightly distorted tetra­hedral coordination environment. The cations and anions are connected via N—H⋯Cl hydrogen bonds into chains extending along [0-11].
doi:10.1107/S1600536813029802
PMCID: PMC3884984  PMID: 24454159
2.  2-Chloro-6-(2,3-di­chloro­benzene­sulfonamido)­benzoic acid 
In the title compound, C13H8Cl3NO4S, the aromatic rings are oriented at a dihedral angle of 68.94 (1)° and the mol­ecule adopts a V-shape. An intra­molecular N—H⋯O inter­action generates a six-membered S(6) ring motif. In the crystal, pairs of O—H⋯O hydrogen bonds involving the carb­oxy group link the mol­ecules into inversion dimers with an R 2 2(8) motif. N—H⋯O and non-classical C—H⋯O inter­actions connect the mol­ecules, forming sheets propagating in (100).
doi:10.1107/S1600536813011574
PMCID: PMC3684920  PMID: 23795022
3.  3-Chloro-4-[2-(4-chloro­benzyl­idene)hydrazinyl­idene]-1-methyl-3,4-dihydro-1H-2λ6,1-benzothia­zine-2,2-dione 
In the title compound, C16H13Cl2N3O2S, the dihedral angle between the aromatic rings is 6.62 (2)° and the C=N—N=C torsion angle is 176.2 (4)°. The thia­zine ring shows an envelope conformation, with the S atom displaced by 0.633 (6) Å from the mean plane of the other five atoms (r.m.s. deviation = 0.037 Å). The Cl atom is an an axial conformation and is displaced by 2.015 (6) Å from the thia­zine ring plane. In the crystal, mol­ecules are linked by C—H⋯O inter­actions, generating a three-dimensional network. Very weak aromatic π–π stacking inter­actions [centroid–centroid separations = 3.928 (2) Å] are also observed.
doi:10.1107/S1600536813004443
PMCID: PMC3588526  PMID: 23476596
4.  2-(Naphthalene-2-sulfonamido)-3-phenyl­propanoic acid 
In the title compound, C19H17NO4S, the phenyl ring and the naphthalene ring system are oriented at a dihedral angle of 4.12 (2)° and the mol­ecule adopts a U-shaped conformation. The Cc—C—N—S (c = carb­oxy) torsion angle is 90.98 (15)°. In the crystal, mol­ecules are linked by O—H⋯O and N—H⋯O hydrogen bonds, resulting in (100) chains incorporating centrosymmetric R 2 2(14) and R 2 2(10) loops. Weak aromatic π–π stacking is also observed [centroid–centroid separations = 3.963 (2) and 3.932 (2) Å].
doi:10.1107/S1600536813000081
PMCID: PMC3569255  PMID: 23424478
5.  6-Bromo-1-methyl-4-[2-(1-phenyl­ethyl­idene)hydrazinyl­idene]-3,4-dihydro-1H-2λ6,1-benzothia­zine-2,2-dione 
In the title compound, C17H16BrN3O2S, the dihedral angle between the aromatic rings is 1.24 (15)° and the C=N—N=C torsion angle is 167.7 (3)°. The conformation of the thia­zine ring is an envelope, with the S atom displaced by 0.805 (3) Å from the mean plane of the other five atoms (r.m.s. deviation = 0.027 Å). In the crystal, C—H⋯O inter­actions link the mol­ecules into C(10) [010] chains. A weak C—H⋯π inter­action is also observed.
doi:10.1107/S1600536812051380
PMCID: PMC3569229  PMID: 23424452
6.  3-Chloro-1-methyl-4-[2-(3-phenyl­allyl­idene)hydrazinyl­idene]-3,4-dihydro-1H-2λ6,1-benzothia­zine-2,2-dione 
In the title compound, C18H16ClN3O2S, the dihedral angle between the aromatic rings is 4.81 (2)° and the alkyl chain takes on an extended conformation [N—C—C—C = 179.2 (4)°]. The conformation of the thia­zine ring is an envelope, with the S atom displaced by −0.805 (3) Å from the mean plane of the other five atoms (r.m.s. deviation = 0.046 Å). The Cl atom is an axial conformation and is displaced by 1.761 (4) Å from the thia­zine ring plane. In the crystal, inversion dimers linked by pairs of C—H⋯O inter­actions generate R 2 2(20) loops and further C—H⋯O hydrogen bonds link the dimers into (001) sheets. Weak aromatic π–π stacking inter­actions [centroid–centroid separations = 3.870 (3) and 3.883 (3) Å] are also observed.
doi:10.1107/S1600536812051513
PMCID: PMC3569230  PMID: 23424453
7.  Anilinium-3-carboxyl­ate 3-carb­oxy­anilinium nitrate 
The title compound, C7H8NO2 +·NO3 −·C7H7NO2, exists in the form of a protonated dimer of two anilinium-3-carboxyl­ate mol­ecules related by an inversion center, and a nitrate anion located on a twofold rotation axis. The bridging H atom occupies, with equal probability, the two sites associated with the carboxyl atoms. In addition to the strong O—H⋯O hydrogen bond, in the crystal, the various units are linked via N—H⋯O and C—H⋯O hydrogen bonds forming a three-dimensional structure.
doi:10.1107/S1600536812049392
PMCID: PMC3588283  PMID: 23476416
8.  Hexa­kis­(μ3-1-methyl­thio­urea-κ3 S:S:S)hexa­kis­[iodidocopper(I)] 
The title compound, [Cu6I6(C2H6N2S)6], was obtained from the reaction of copper(I) iodide with N-methyl­thio­urea (Metu) in equimolar amounts in acetonitile. The complex consists of two six-membered trinuclear Cu3S3I3 cores that combine through triply bridging Metu, forming a hexa­nuclear core which has -3 symmetry. The CuII atom is coordinated by three S atoms of Metu and one iodide ion in a distorted tetra­hedral geometry. The crystal structure is stabilized by N—H⋯I hydrogen bonds and cuprophilic inter­actions [Cu⋯Cu = 3.0264 (9) Å].
doi:10.1107/S1600536812043437
PMCID: PMC3515146  PMID: 23284373
9.  2-(1H-Indol-3-yl)acetohydrazide 
In the title compound C10H11N3O, the mean plane of the indole ring system (r.m.s. deviation 0.0131 Å) subtends a dihedral angle of 87.27 (5)° to the almost planar acetohydrazide substituent (r.m.s. deviation 0.0291 Å). In the crystal, bifurcated N—H⋯(O,N) and N—H⋯N hydrogen bonds involving the pyrrole N–H grouping combine to form zigzag chains along a. Additional N—H⋯O contacts from the hydrazide N–H group augmented by C—H⋯π inter­actions link the mol­ecules into chains along the a axis. The overall effect of these contacts is a three-dimensional network structure with mol­ecules stacked along the b-axis direction.
doi:10.1107/S1600536812041694
PMCID: PMC3515242  PMID: 23284462
10.  N,N-Bis(2-hy­droxy­eth­yl)-4-methyl­benzene­sulfonamide 
In the title compound C11H17NO4S, an intra­molecular O—H⋯O hydrogen bond forms an S(8) ring and determines the conformation of the bis­(2-hy­droxy­eth­yl) segment of the mol­ecule, holding the two CH2CH2OH groups close to coplanar (r.m.s. deviation = 0.185 Å). In the crystal, O—H⋯O hydrogen bonds link the mol­ecules into zigzag chains along the b axis. Weaker additional C—H⋯O and C—H⋯π contacts generate a three dimensional network, with mol­ecules stacked along the b-axis direction.
doi:10.1107/S1600536812041682
PMCID: PMC3515243  PMID: 23284463
11.  N-(2,3-Dimethyl­phen­yl)-4-methyl-N-(4-methyl­phenyl­sulfon­yl)benzene­sulfonamide 
In the title compound, C22H23NO4S2, the dihedral angles between the dimethyl­phenyl ring and the two methyl­phenyl rings are 41.19 (15) and 20.50 (17)°; the dihedral angle between the methyl­phenyl rings is 48.11 (14)°. The C—N—S—C torsion angles are −87.6 (2) and 77.43 (18)°. The only possible directional inter­actions in the crystal are very weak C—H⋯π inter­actions and very weak π–π stacking between parallel methyl­phenyl rings [centroid-to-centroid separation = 4.010 (2) Å and slippage = 1.987 Å].
doi:10.1107/S1600536812039773
PMCID: PMC3470371  PMID: 23125784
12.  (4Z)-1-Methyl-4-[(2E)-2-(4-methyl­benzyl­idene)hydrazin-1-yl­idene]-3,4-dihydro-1H-2λ6,1-benzothia­zine-2,2-dione 
In the title compound, C17H17N3O2S, the dihedral angle between the aromatic rings is 6.3 (5)° and the C=N—N=C group is statistically planar [torsion angle = 179.8 (8)°]. The conformation of the thia­zine ring is an envelope, with the S atom displaced by 0.823 (9) Å from the mean plane of the other five atoms (r.m.s. deviation = 0.012 Å). In the crystal, C—H⋯O inter­actions link the mol­ecules into C(5) chains propagating along [101]. The chains are consolidated by weak aromatic π–π stacking between the benzene and toluene rings [centroid-to-centroid separation = 3.826 (5) Å and inter­planar angle = 6.3 (4)°].
doi:10.1107/S1600536812039529
PMCID: PMC3470338  PMID: 23125751
13.  N-(2,3-Dimethyl­phen­yl)-4-fluoro-N-[(4-fluoro­phen­yl)sulfon­yl]benzene­sulfonamide 
In the title compound, C20H17F2NO4S2, the dihedral angles between the o-xylene ring and the fluoro­benzene rings are 31.7 (1) and 32.8 (1)°, and the dihedral angle between the fluoro­benzene rings is 50.9 (1)°. The C—N—S—C torsion angles are 76.7 (2) and 101.8 (2)°. In the crystal, mol­ecules are connected by C—H⋯O inter­actions into sheets in the ab plane.
doi:10.1107/S1600536812039402
PMCID: PMC3470340  PMID: 23125753
14.  6-Bromo-4-[2-(4-fluoro­benzyl­idene)hydrazin-1-yl­idene]-1-methyl-3,4-dihydro-1H-2λ6,1-benzothia­zine-2,2-dione 
In the title compound, C16H13BrFN3O2S, the dihedral angle between the aromatic rings is 2.55 (19)° and the C=N—N=C torsion angle is 178.9 (3)°. The conformation of the thia­zine ring is an envelope, with the S atom displaced by −0.811 (3) Å from the mean plane of the other five atoms (r.m.s. deviation = 0.042 Å). In the crystal, C—H⋯O inter­actions link the mol­ecules and weak aromatic π–π stacking between the fluoro­benzene and bromo­benzene rings [centroid–centroid separation = 3.720 (2) Å and inter­planar angle = 2.6 (2)°] is also observed.
doi:10.1107/S1600536812037403
PMCID: PMC3470210  PMID: 23125654
15.  2,5-Dichloro-N-(2,3-dimethyl­phen­yl)benzene­sulfonamide 
In the title compound, C14H13Cl2NO2S, the dihedral angle between the aromatic rings is 62.21 (7)° and the C—S—N—C group adopts a gauche conformation [torsion angle = 60.22 (17)°]. In the crystal, N—H⋯O hydrogen bonds link the mol­ecules into C(4) chains propagating in [010]. A short inter­molecular Cl⋯O contact of 3.1115 (17) Å is seen.
doi:10.1107/S1600536812035787
PMCID: PMC3435760  PMID: 22969631
16.  6-Bromo-1-methyl-4-[2-(4-nitro­benzyl­idene)hydrazin-1-yl­idene]-2,2-dioxo-3,4-dihydro-1H-2λ6,1-benzothia­zine 
In the title compound, C16H13BrN4O4S, the dihedral angle between the aromatic rings is 4.1 (2)° and the C=N—N=C torsion angle is 175.5 (3)°. The nitro group is almost coplanar with the benzene ring to which it is attached [dihedral angle = 2.9 (7)°]. The thia­zine ring has an S-envelope conformation with the S atom displaced by 0.819 (3) Å from the mean plane of the other five atoms (r.m.s. deviation = 0.017 Å). In the crystal, C—H⋯O inter­actions link the mol­ecules and weak aromatic π–π stacking [centroid–centroid separation = 3.874 (2) Å] is also observed.
doi:10.1107/S1600536812035374
PMCID: PMC3435732  PMID: 22969603
17.  2-{[2-(1-Methyl-2,2-dioxo-3,4-dihydro-1H-2λ6,1-benzothia­zin-4-yl­idene)hydrazin-1-yl­idene]meth­yl}phenol 
In the title compound, C16H15N3O3S, the dihedral angle between the aromatic rings is 8.18 (11)° and the C=N—N=C torsion angle is 178.59 (14)°. The conformation of the thia­zine ring is an envelope, with the S atom displaced by 0.8157 (18) Å from the mean plane of the other five atoms (r.m.s. deviation = 0.045 Å). An intra­molecular O—H⋯N hydrogen bond closes an S(6) ring. In the crystal, weak C—H⋯O inter­actions link the mol­ecules, with all three O atoms acting as acceptors.
doi:10.1107/S1600536812034101
PMCID: PMC3435671  PMID: 22969542
18.  2,5-Dichloro-N-(3-methyl­phen­yl)benzenesulfonamide 
In the title compound, C13H11Cl2NO2S, the dihedral angle between the aromatic rings is 76.62 (10)° and the C—S—N—C linkage between the rings adopts a gauche conformation [torsion angle = −51.4 (2)°]. A weak intra­molecular C—H⋯O inter­action closes an S(6) ring. In the crystal, inversion dimers linked by pairs of N—H⋯O hydrogen bonds generate R 2 2(8) loops.
doi:10.1107/S1600536812032023
PMCID: PMC3414931  PMID: 22904918
19.  N-(2,3-Dihydro-1,4-benzodioxin-6-yl)-4-fluoro­benzene­sulfonamide 
In the title compound, C14H12FNO4S, the dihedral angle between the aromatic rings is 50.26 (9)° and the C—S—N—C bond adopts a gauche conformation [torsion angle = −68.12 (15)°]. The dihydro­dioxine ring is disordered over two orientations, which both approximate to half-chairs, in a 0.880 (7):0.120 (7) ratio. In the crystal, N—H⋯O hydrogen bonds link the mol­ecules into C(4) chains propagating in [100]. Weak C—H⋯O and C—H⋯F inter­actions consolidate the packing.
doi:10.1107/S1600536812030863
PMCID: PMC3414348  PMID: 22904881
20.  6-Bromo-4-(2-cyclo­hexyl­idenehydrazin-1-yl­idene)-1-methyl-2,2-dioxo-3,4-dihydro-1H-2λ6,1-benzothia­zine 
The asymmetric unit of the title compound, C15H18BrN3O2S, contains two independent mol­ecules in both of which the (thia­zine)C=N—N double bond exhibits an E conformation. The cyclo­hexyl rings adopt chair conformations while the thia­zine rings are in sofa conformations. The mean planes of these rings are oriented at dihedral angles of 64.43 (13) and 28.6 (2)° in the two independent mol­ecules while the aromatic and thia­zine rings are twisted by dihedral angles of 8.73 (8) and 13.07 (2)°, respectively. In the crystal, C—H⋯O and C—H⋯Br inter­actions connect mol­ecules into chains propagating along the a axis.
doi:10.1107/S1600536812025123
PMCID: PMC3393904  PMID: 22798769
21.  1-Methyl-4-[1-(1-phenyl­ethyl­idene)-hydrazin-2-yl­idene]-3,4-dihydro-1H-2λ6,1-benzothia­zine-2,2-dione 
In the title compound, C17H17N3O2S, the phenyl ring is oriented at dihedral angles of 8.5 (2) and 1.17 (14)°, respectively, to the C=N—N plane and the fused aromatic ring. The thia­zine ring adopts an envelope conformation with the S atom at the flap. In the crystal, a weak C—H⋯O inter­action connects the mol­ecules, forming a helical chain along the a axis.
doi:10.1107/S1600536812025743
PMCID: PMC3393913  PMID: 22798778
22.  3-(1H-Indol-3-yl)-2-(2-nitro­benzene­sulfonamido)­propanoic acid including an unknown solvate 
In the title compound, C17H15N3O6S, which crystallized with highly disordered methanol and/or water solvent mol­ecules, the dihedral angle between the the indole and benzene ring systems is 5.3 (2)°, which allows for the formation of intra­molecular π–π stacking inter­actions [centroid–centroid separations = 3.641 (3) and 3.694 (3) Å] and an approximate overall U-shape for the mol­ecule. In the crystal, dimers linked by pairs of Ns—H⋯Oc (s = sulfonamide and c = carboxyl­ate) hydrogen bonds generate R 2 2(10) loops, whereas Ni—H⋯π (i = indole) inter­actions lead to chains propagating in [100] or [010]. Together, these lead to a three-dimensional network in which the solvent voids are present as inter­secting (two-dimensional) systems of [100] and [010] channels. The title compound was found to contain a heavily disordered solvent mol­ecule, which could be methanol or water or a mixture of the two. Due to its uncertain nature and the unresolvable disorder, the data were processed with the SQUEEZE option in PLATON [Spek (2009 ▶). Acta Cryst. D65, 148–155], which revealed 877.8 Å3 of solvent-accessible volume per unit cell and 126 electron-units of scattering density or 109.7 Å3 (16 electron units) per organic mol­ecule.. This was not included in the calculations of overall formula weight, density and absorption coefficient.
doi:10.1107/S1600536812023446
PMCID: PMC3393288  PMID: 22807845
23.  Methyl 2-(but-3-en­yl)-4-hy­droxy-1,1-dioxo-2H-1λ6,2-benzothia­zine-3-carboxyl­ate 
In the title compound, C14H15NO5S, the thia­zine ring adopts a sofa conformation and an intra­molecular O—H⋯O hydrogen bond forms an S(6) ring. In the crystal, molecules are linked viaC—H⋯O inter­actions.
doi:10.1107/S1600536812022908
PMCID: PMC3379481  PMID: 22719679
24.  1-Ethyl-4-[1-(1-phenyl­ethyl­idene)hydrazin-2-yl­idene]-3,4-dihydro-1H-2λ6,1-benzothia­zine-2,2-dione 
In the title compound, C18H19N3O2S, the thia­zine ring adopts an envelope conformation, with the S atom displaced by 0.732 (1) Å from the other atoms of the ring. The phenyl ring is oriented at a dihedral angle of 79.33 (7)° with respect to the fused benzene ring. The conformations about the two double bonds in the R 2C=N—N=C(CH3)Ar grouping are Z and E, respectively. In the crystal, inversion dimers linked by pairs of C—H⋯O inter­actions generate R 2 2(8) and R 2 2(12) loops, as parts of infinite chains along the a-axis direction.
doi:10.1107/S1600536812022982
PMCID: PMC3379482  PMID: 22719680
25.  N-[4-(4-Chloro­benzene­sulfonamido)­phenyl­sulfon­yl]acetamide 
In the title compound, C14H13ClN2O5S2, the dihedral angles between the central benzene ring and the pendant chloro­benzene ring and the N-acetyl group are 82.35 (5) and 79.71 (6)°, respectively, and the overall conformation of the mol­ecule approximates to a U shape. Both the C—S—N—C conformations are gauche, but with opposite senses [torsion angles = −59.29 (15) and 63.68 (16)°]. An intra­molecular C—H⋯O inter­action generates an S(6) ring. In the crystal, inversion dimers linked by pairs of N—H⋯O hydrogen bonds generate R 2 2(20) loops. A second N—H⋯O hydrogen bond links the dimers into (101) layers.
doi:10.1107/S1600536812023434
PMCID: PMC3379469  PMID: 22719667

Results 1-25 (247)