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1.  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
2.  5-Acetyl-3-(5-phenyl-1H-pyrazol-3-yl)-1,3,4-thia­diazol-2(3H)-one monohydrate 
In the title hydrate, C13H10N4O2S·H2O, the dihedral angles between the central pyrazole ring and its pendant phenyl and thia­diazole rings are 9.93 (8) and 4.56 (7)°, respectively. In the crystal, the components are linked by N—H⋯O, O—H⋯N and O—H⋯O hydrogen bonds, generating [100] chains incorporating R 4 4(10) loops. A weak C—H⋯O inter­action helps to consolidate the packing.
doi:10.1107/S1600536813010817
PMCID: PMC3648319  PMID: 23723939
3.  2-[(2-Hy­droxy­naphthalen-1-yl)methyl­idene­amino]-5,6,7,8-tetra­hydro-4H-cyclo­hepta­[b]thio­phene-3-carbonitrile 
Two independent mol­ecules, A and B, comprise the asymmetric unit of the title compound, C21H18N2OS, with the difference in the angle of orientation between the naphthalene ring system and the mean plane of the cyclo­heptyl ring [16.13 (1) in A and 11.48 (5)° in B], being evident. The cyclo­heptyl ring adopts a distorted chair conformation in each mol­ecule with r.m.s. deviations of 0.2345 (4) (A) and 0.2302 (4) Å (B). Intra­molecular O—H⋯N hydrogen bonding generates planar six-membered S(6) loops with r.m.s. deviations of 0.0099 (1) (A) and 0.0286 (1) Å (B).
doi:10.1107/S160053681300007X
PMCID: PMC3569254  PMID: 23424477
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.  1,3-Diethyl-2-sulfanyl­idene-5-(2,4,5-trimeth­oxy­benzyl­idene)-1,3-diazinane-4,6-dione 
The title compound, C18H22N2O5S, is largely planar, with an r.m.s. deviation of 0.0546 (1) Å of atoms from the mean plane through all non-H atoms except for the methyl groups. The benzene and pyrimidine­dione rings are inclined to one another at a dihedral angle of 1.41 (7)°. In the crystal, weak C—H⋯O inter­actions connect the mol­ecules into chains propagating along the b-axis direction.
doi:10.1107/S1600536812049707
PMCID: PMC3588229  PMID: 23476432
6.  cis-Dichloridobis(N,N,N′,N′-tetra­methyl­ethane-1,2-diamine)­platinum(II) 
In the title complex, [PtCl2(C6H16N2)], the PtII atom adopts a distorted cis-PtN2Cl2 square-planar coordination geometry. The five-membered chelate ring adopts a twisted conformation. In the crystal, weak C—H⋯Cl hydrogen bonds link the mol­ecules into (001) sheets.
doi:10.1107/S1600536812048295
PMCID: PMC3588799  PMID: 23468764
7.  (Z)-Ethyl 2-chloro-2-[2-(4-methyl­phen­yl)hydrazinyl­idene]acetate 
The mol­ecule of the title compound, C11H13ClN2O2, is approximately planar (r.m.s. deviation = 0.099 Å for non-H atoms) and adopts a Z conformation about the C=N double bond. In the crystal, mol­ecules are linked by N—H⋯O and C—H⋯O hydrogen bonds to the same O-atom acceptor, forming zigzag chains propagating along [010]. These inter­actions give rise to R 2 1(6) loops.
doi:10.1107/S1600536812046521
PMCID: PMC3589004  PMID: 23476240
8.  1-[(Z)-1-Ferrocenyl­ethyl­idene]thio­carbonohydrazide 
In the title compound, [Fe(C5H5)(C8H11N4S)], the cyclo­penta­dienyl (Cp) rings of the ferrocene unit are close to being eclipsed. They are inclined to one another at an angle of 1.95 (2)° and lie 3.309 (2)Å away from each other. The ethyl­idene­thio­carbonohydrazide fragment is planar, with an r.m.s. deviation of 0.0347 (2) Å from the mean plane of its eight non-H atoms, and makes dihedral angles of 21.78 (1) and 19.97 (1)° with respect to the two Cp rings. The mol­ecule adopts a trans geometry about the C=N double bond. In the crystal, N—H⋯(N/S) and C—H⋯S inter­actions stack the mol­ecules in an inverse fashion along the b axis.
doi:10.1107/S1600536812044078
PMCID: PMC3588708  PMID: 23468673
9.  Ethyl (Z)-2-chloro-2-[2-(4-meth­oxy­phenyl)hydrazin-1-yl­idene]acetate 
The mol­ecule of the title compound, C11H13ClN2O3, is planar (r.m.s. deviation = 0.0587 Å for non-H atoms) and adopts a Z conformation about the C=N double bond. In the crystal, mol­ecules are linked via an N—H⋯O hydrogen bond, forming zigzag chains propagating along [010]. These chains are consolidated by C—H⋯O hydrogen bonds.
doi:10.1107/S1600536812044285
PMCID: PMC3588822  PMID: 23468787
10.  1-(1H-1,2,3-Benzotriazol-1-yl)-2-(4-meth­oxy­phen­yl)ethanone 
In the title compound, C15H13N3O2, the dihedral angle between the benzotriazole ring system (r.m.s. deviation = 0.0124 Å) and the benzene ring is 76.21 (3)°. The meth­oxy C atom deviates from its benzene ring plane by 0.063 (2)Å. In the crystal, inversion dimers linked by pairs of C—H⋯O hydrogen bonds generate R 2 2(12) loops.
doi:10.1107/S1600536812043759
PMCID: PMC3515306  PMID: 23284526
11.  1-(Benzotriazol-1-yl)-2-bromoethanone 
In the title compound C8H6BrN3O, the benzotriazole ring is essentially planar (r.m.s. deviation = 0.0034 Å) and the bromo­acetyl unit is twisted at a dihedral angle of 15.24 (16)° with respect to it. In the crystal, pairs of C—H⋯O hydrogen bondings result in the formation of inversion dimers, forming R 2 2(12) rings, which are connected by further C—H⋯O inter­actions into chains extending along the b-axis direction.
doi:10.1107/S1600536812042900
PMCID: PMC3515272  PMID: 23284492
12.  Ethyl 2-benzene­sulfonamido-4-methyl­penta­noate 
In the title compound, C14H21NO4S, the O—S—O angle is 120.06 (11)°, with the S atom adopting a distorted tetra­hedral geometry. In the crystal, N—H⋯O hydrogen bonds connect the mol­ecules along the a axis, generating an infinite chain. The disordered C atoms of the isobutyl group were refined with the C—C distances restrained to 1.52 (1) Å and the occupancy ratio refined to 0.504 (3):0.496 (3).
doi:10.1107/S1600536812037658
PMCID: PMC3470229  PMID: 23125673
13.  2-Benzene­sulfonamido-3-methyl­butyric acid 
In the crystal structure of the title compound, C11H15NO4S, two independent mol­ecules are present per asymmetric unit; they are dimerized through O—H⋯O hydrogen bonds between their carb­oxy groups to generate R 2 2(8) loops. An intra­molecular N—H⋯O link in one of the mol­ecules closes an S(5) ring. The dimers are linked by N—H⋯O and C—H⋯O hydrogen bonds to form a three-dimensional network. The C atoms of the isopropyl group of one of the mol­ecules are disordered over two orientations in a 3:1 ratio.
doi:10.1107/S1600536812034393
PMCID: PMC3435689  PMID: 22969560
14.  4-Methyl-2-(2-nitro­benzene­sulfon­amido)­penta­noic acid 
In the title compound, C12H16N2O6S, the S atom adopts a distorted tetra­hedral geometry with an O—S—O angle of 119.76 (13)°. The nitro group is twisted by 35.34 (2)° with respect to the aromatic ring; it accepts an N—H⋯O hydrogen bond, resulting in a S(7) motif. In the crystal, N—H⋯O and O—H⋯O hydrogen bonds connect the mol­ecules into an infinite chain along the a axis. The methyl C atoms of the isopropyl group are disordered in a 1:1 ratio.
doi:10.1107/S1600536812033260
PMCID: PMC3415013  PMID: 22905000
15.  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
16.  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
17.  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
18.  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
19.  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
20.  Methyl 2-butyl-4-hy­droxy-1,1-dioxo-2H-1,2-benzothia­zine-3-carboxyl­ate 
In the title compound, C14H17NO5S, the thia­zine ring adopts a half-chair conformation. The mol­ecule exhibits an intra­molecular O—H⋯O hydrogen bond, which forms a six-membered S(6) ring motif. The planes of the benzene and thia­zine rings are inclined at a dihedral angle of 15.30 (12)°.
doi:10.1107/S1600536812019733
PMCID: PMC3379260  PMID: 22719458
21.  [4,4′-(Ethane-1,2-diyldinitrilo)­bis­(pent-2-en-2-olato)]copper(II) 0.25-hydrate 
In the title compound, [Cu(C12H18N2O2)]·0.25H2O, the coordination of the O,N,N′,O′-tetra­dentate ligand results in a cis-CuN2O2 square-planar geometry for the metal ion and the presence of two six-membered and one five-membered chelate rings. The complete complex mol­ecule is close to planar (r.m.s. deviation = 0.047 Å). The uncoordinated water mol­ecule (O-atom site symmetry 2) was modelled as half occupied. In the crystal, C—H⋯Ow and Ow—H⋯O (w = water) hydrogen bonds link the components into layers parallel to ab plane.
doi:10.1107/S1600536812017102
PMCID: PMC3344391  PMID: 22590153
22.  Methyl 1-ethyl-7-methyl-4-oxo-1,4-di­hydro-1,8-naphthyridine-3-carboxyl­ate monohydrate 
In the structure of the title compound, C13H14N2O3·H2O, all atoms of the organic molecule except the terminal methyl group of the ethyl group attached to the N atom of the pyridinone ring are roughly coplanar, with an r.m.s. deviation of 0.0897 Å. In the crystal, C—H⋯O contacts link pairs of naphthyridine mol­ecules into head-to-tail dimers. These are joined by strong O—H⋯O hydrogen bonds from the water molecules into infinite chains along the a axis.
doi:10.1107/S1600536812004333
PMCID: PMC3295425  PMID: 22412536
23.  N′-[(Z)-(1,5-Dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)methyl­idene]-2-hy­droxy­benzohydrazide 
In the title compound, C19H18N4O3, the pyrazole ring is oriented at dihedral angles of 41.12 (7) and 12.25 (10)°, respectively, with respect to the planes of the phenyl and benzene rings. Intra­molecular N—H⋯O and O—H⋯O hydrogen bonds generate seven- and six-membered S(7) and S(6) ring motifs, respectively.
doi:10.1107/S1600536812000402
PMCID: PMC3275035  PMID: 22346980
24.  2-{(E)-[(2Z)-(3-Chloro-1-methyl-2,2-di­oxo-3,4-dihydro-1H-2,1-benzo­thia­zin-4-yl­idene)hydrazinyl­idene]meth­yl}phenol 
In the title compound, C16H14ClN3O3S, the thia­zine ring adopts a sofa (half-chair) conformation, with an r.m.s. deviation from the mean plane of 0.23 Å. The S atom and S-bonded C atom exhibit the maximum deviations from the thia­zine mean plane [−0.3976 (12) and 0.3179 (14) Å, respectively]. The conformations around the double bonds in the R 2C=N—N=CHR unit are Z and E. An intra­molecular O—H⋯N hydrogen bond with the hy­droxy group as donor generates an S(6) ring motif. In the crystal, pairs of weak C—H⋯O inter­actions connect the mol­ecules, forming inversion dimers.
doi:10.1107/S1600536811055978
PMCID: PMC3275000  PMID: 22346945

Results 1-24 (24)