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1.
T. Ravishankar K. Chinnakali N. Arumugam P. C. Srinivasan Anwar Usman Hoong‐Kun Fun 《Acta Crystallographica. Section C, Structural Chemistry》2003,59(3):o137-o140
In the title compound, C24H20Br2N2O4S, the indole ring system is planar and the S atom has a distorted tetrahedral configuration. The sulfonyl‐bound phenyl ring is orthogonal to the indole ring system and the conformation of the phenylsulfonyl substituent with respect to the indole moiety is influenced by intramolecular C—H⃛O hydrogen bonds involving the two sulfonyl O atoms. The mean plane through the acetylamido group makes a dihedral angle of 57.0 (1)° with the phenyl ring of the benzyl moiety. In the crystal, glide‐related molecules are linked together by N—H⃛O hydrogen bonds and C—H⃛π interactions to form molecular chains, which extend through the crystal. Inversion‐related chains are interlinked by C—H⃛π interactions to form molecular layers parallel to the bc plane. These layers are interconnected through π–π interactions involving the five‐ and six‐membered rings of the indole moiety. 相似文献
2.
K. Sethu Sankar S. Kannadasan D. Velmurugan P. C. Srinivasan S. Shanmuga Sundara Raj H.‐K. Fun 《Acta Crystallographica. Section C, Structural Chemistry》2002,58(5):o277-o279
The title compound, C28H27N3O4S, crystallizes in the centrosymmetric space group P21/n, with one molecule in the asymmetric unit. In the indole ring, the dihedral angle between the fused rings is 3.6 (1)°. The phenyl ring of the sulfonyl substituent makes a dihedral angle of 79.2 (1)° with the best plane of the indole moiety. The phenyl ring of the dimethylaminophenyl group is orthogonal to the phenyl ring of the phenylsulfonyl group. The dihedral angle formed by the weighted least‐squares planes through the pyrrole ring and the phenyl ring of the dimethylaminophenyl group is 7.8 (1)°. The molecular structure is stabilized by C—H?O and C—H?N interactions. 相似文献
3.
Hoong‐Kun Fun R. Sankaranarayanan D. Velmurugan S. Shanmuga Sundara Raj G. Babu P. T. Perumal 《Acta Crystallographica. Section C, Structural Chemistry》2000,56(4):475-476
In the title compound, C26H22N2O2S, the tetrahydropyridine ring has a conformation intermediate between half‐chair and sofa. The tetrahydroquinoline mean plane makes a dihedral angle of 73.3 (1)° with the cyclopentene ring, which adopts an envelope conformation, and an angle of 45.45 (4)° with the indole best plane. The dihedral angle between the benzene and pyrrole rings is 2.6 (1)°. The orientations of the phenyl ring on the sulfonyl group and of the indole are governed by weak C—H?O interactions. The packing of the molecule in the solid state is stabilized by C—H?O and C—H?N hydrogen bonds. 相似文献
4.
P. R. Seshadri D. Velmurugan J. Govindaraj S. Kannadasan P. C. Srinivasan S. Shanmuga Sundara Raj H.‐K. Fun M. J. Kim 《Acta Crystallographica. Section C, Structural Chemistry》2002,58(12):o700-o703
The title compounds, C20H25N2O2S+·I?, (I), and C29H25BrN2O2S, (II), respectively, both crystallize in space group P. The pyrrole ring subtends an angle with the sulfonyl group of 33.6° in (I) and 21.5° in (II). The phenyl ring of the sulfonyl substituent makes a dihedral angle with the best plane of the indole moiety of 81.6° in (I) and 67.2° in (II). The lengthening or shortening of the C—N bond distances in both compounds is due to the electron‐withdrawing character of the phenylsulfonyl group. The S atoms are in distorted tetrahedral configurations. The molecular structures are stabilized by C—H?O and C—H?I interactions in (I), and by C—H?O and C—H?N interactions in (II). 相似文献
5.
R. Sankaranarayanan D. Velmurugan S. Shanmuga Sundara Raj Hoong‐Kun Fun 《Acta Crystallographica. Section C, Structural Chemistry》2001,57(6):726-727
In the title compound, C29H30N6O, the naphthyridine moiety is planar with a dihedral angle between the fused rings of 1.9 (1)°. The phenol ring is nearly coplanar, while the diethylaminophenyl substituent is orthogonal to the central naphthyridine ring and the pyrrolidine ring makes an angle of 11.2 (1)° with it. The O atom of the hydroxy substituent is coplanar with the phenyl ring to which it is attached. The molecular structure is stabilized by a C—H?N‐type intramolecular hydrogen bond and the packing is stabilized by intermolecular C—H?π, O—H?N and N—H?O hydrogen bonds. 相似文献
6.
Vijayakumar N. Sonar M. Venkatraj Sean Parkin Peter A. Crooks 《Acta Crystallographica. Section C, Structural Chemistry》2007,63(5):o277-o279
In crystals of the title compound, C23H23N5O3S, the indole system is planar and the phenyl ring of the phenylsulfonyl group makes a dihedral angle with the best plane of the indole system of 77.18 (4)°. The olefinic bond connecting the azabicyclic and indole systems has Z geometry. The geometry adopted by the C=O bond with respect to the N—N bond is trans. The O atom of the carbonyl group of each molecule is hydrogen bonded to the hydrazidic H atom of an adjacent molecule to form an eight‐membered‐ring dimeric structure. 相似文献
7.
S. Shanmuga Sundara Raj Hoong‐Kun Fun Xuan‐Jun Zhang Yu‐Peng Tian Fu‐Xin Xie Ji‐Long Ma 《Acta Crystallographica. Section C, Structural Chemistry》2000,56(10):1238-1239
In the crystal structure of the title compound, C11H16N4OS, the phenyl ring and the thiosemicarbazone moiety from a dihedral angle of 7.7 (1)°. The crystal structure is governed by N—H?O and O—H?S hydrogen bonds leading to the formation of a two‐dimensional network. 相似文献
8.
Engin Kendi Süheyla
zbey Oya Bozda Rahmiye Ertan 《Acta Crystallographica. Section C, Structural Chemistry》2000,56(4):457-458
In the title molecule, C15H11NO4S, the phenyl and benzene rings are quite planar, with maximum deviations from planarity of 0.009 (2) and 0.004 (1) Å, respectively. The γ‐pyrone ring deviates from planarity and makes a dihedral angle of 8.3 (3)° with the 2‐phenyl substituent. The sulfonamide group is involved in N—H?O hydrogen bonding. 相似文献
9.
Abdurrahman engül Nevzat Karaday 《Acta Crystallographica. Section C, Structural Chemistry》2004,60(8):o539-o541
The title compound, C27H27N5O3·H2O, is built up from pyrazolinone, phenyl and acetophenone oxime moieties. The 2‐phenyl substituent is nearly perpendicular to the pyrazolinone ring, with a dihedral angle of 87.66 (1)°. The acetophenone oxime moieties are twisted out of the pyrazolinone‐ring plane by 47.04 (1)°. The molecules in the crystal pack in an antiparallel fashion and are held together by hydrogen‐bonded water molecules and intermolecular O—H⋯O and O—H⋯N hydrogen bonds. 相似文献
10.
Galal H. Elgemeie Shahinaz H. Sayed Peter G. Jones 《Acta Crystallographica. Section C, Structural Chemistry》2013,69(1):90-92
The title compound, C10H11N3O3S, (I), crystallizes as the NH tautomer. The two rings subtend an interplanar angle of 72.54 (4)°. An intramolecular hydrogen bond is formed from the NH2 group to a sulfonyl O atom. The molecular packing involves layers of molecules parallel to the bc plane at x≃ 0, 1 etc., with two classical linear hydrogen bonds (amino–sulfonyl and pyrazoline–carbonyl N—H...O) and a further interaction (amino–sulfonyl N—H...O) completing a three‐centre system with the intramolecular contact. The analogous phenyl derivative, (II) [Elgemeie, Hanfy, Hopf & Jones (1998). Acta Cryst. C 54 , 136–138], crystallizes with essentially the same unit cell and packing pattern, but with two independent molecules that differ significantly in the orientation of the phenyl groups. The space group is P21/c for (I) but P21 for (II), which is thus a pseudosymmetric counterpart of (I). 相似文献
11.
Alberto Insuasty Braulio Insuasty Justo Cobo Christopher Glidewell 《Acta Crystallographica. Section C, Structural Chemistry》2012,68(11):o468-o471
The non‐H atoms in the organic component of the title compound, C8H7N3OS2·H2O, are almost coplanar, as the dihedral angle between the two ring planes is only 1.8 (2)°; there is a wide C—C—C angle of 127.8 (3)° at the methine C atom linking the two rings. The molecular components are linked into a three‐dimensional framework structure by two‐centre hydrogen bonds of N—H...O and O—H...N types, together with a three‐centre O—H...(N,S) system. Comparisons are made with some (Z)‐5‐arylmethylidene‐2‐sulfanylidene‐1,3‐thiazolidin‐4‐ones. 相似文献
12.
Gordana Pavlovi Ana Dunja Mance Kreimir Jakop
i 《Acta Crystallographica. Section C, Structural Chemistry》2000,56(5):604-606
The title compound, C11H8N2O3S, crystallizes with two crystallographically independent molecules, which are conformationally almost identical, per asymmetric unit. The dihedral angles between the phenyl and 2‐thiofuramide planes are 46.3 (1) and 47.0 (1)° for the first and second molecule, respectively. Strong intramolecular N—H?O hydrogen bonds [N?O 2.664 (2) and 2.661 (2) Å] dictate an anti conformation of the C=S groups in relation to the furan‐O atoms. 相似文献
13.
14.
Fabrizio Adani Enzo Montoneri Philip J. Squattrito 《Acta Crystallographica. Section C, Structural Chemistry》2000,56(4):463-464
The title compound, C7H8FO6PS·H2O, contains both phosphonic and sulfonic acid functionalities. An extensive network of O—H?O hydrogen bonds is present in the crystal structure. The three acidic protons are associated with the phosphonate group. Two protons experience typical hydrogen‐bond contacts with the sulfonate‐O atoms, while the third has a longer covalent bond of 1.05 (3) Å to the phosphonate‐O atom and a short hydrogen‐bond contact of 1.38 (3) Å to the water O atom (all O—H?O angles are in the range 162–175°). The sulfonate group is positioned so that one S—O bond is nearly coplanar with the phenyl ring [torsion angle O—S—C—C ?8.6 (2)°]. The phosphonate group is oriented approximately perpendicular to the ring [torsion angle P—C—C—C 99.2 (2)°] with one P—O bond anti to the benzyl C—C bond. The molecules pack in layers in the b–c plane with the water molecules in between adjacent pairs of inverted layers. 相似文献
15.
Oscar Donoso‐Tauda Carlos A. Escobar Ramiro Araya‐Maturana Andrs Vega 《Acta Crystallographica. Section C, Structural Chemistry》2006,62(10):o631-o632
The molecule of the title compound, C19H20O2S, corresponds to a chiral sulfinyldienol with two stereogenic centres, viz. the C atom susbtituted by the hydroxy group and the sulfinyl S atom. The molecule displays a V‐shape in the solid state. The dihedral angle defined by the least‐squares planes of the aromatic rings is 72.9 (1)°. The packing pattern exhibits the following intermolecular hydrogen bonds: one O—H⋯O [H⋯O = 1.98 Å, O⋯O = 2.785 (4) Å and O—H⋯O = 166°] and two C—H⋯O [H⋯O = 2.58 and 2.60 Å, C⋯O = 3.527 (5) and 3.347 (5) Å, and C—H⋯O = 164 and 134°]. These define a chain along b. 相似文献
16.
Daniel E. Lynch Ian McClenaghan 《Acta Crystallographica. Section C, Structural Chemistry》2000,56(12):e586-e586
The structure of the title compound, C12H12N2O2S, (I), comprises molecules that form dimers via N—H?N hydrogen‐bonding interactions and then construct the overall network through N—H?O associations. The dihedral angle between the phenyl and thiazole rings is 42.41 (6)°. 相似文献
17.
18.
Kandasamy Chinnakali S. Shanmuga Sundara Raj Hoong‐Kun Fun Kamaraj Sriraghavan Vayalakkavoor T. Ramakrishnan 《Acta Crystallographica. Section C, Structural Chemistry》2000,56(2):227-228
In the title compound, C17H21NO3S, the S atom is in a distorted tetrahedral geometry and the N atom exhibits sp2 character. The antiperiplanar conformation is observed for the N and hydroxyl‐O atoms and the torsion angle around the N—C linkage is ?136.3 (2)°. The molecules are linked by O—H?O intermolecular hydrogen bonds to form an infinite one‐dimensional chains along the c axis. 相似文献
19.
Marijana Juki Mario Cetina Jasna Vorkapi‐Fura
Amalija Golobi
Ante Nagl 《Acta Crystallographica. Section C, Structural Chemistry》2003,59(7):o357-o359
Crystal structure analysis of the title compound, C13H12ClNO, reveals three crystallographically independent molecules in the asymmetric unit. The main conformational difference between these molecules is the orientation of the phenyl rings with respect to the pyrrole rings. The coplanar arrangement of the aldehyde groups attached to the pyrrole rings influences the pyrrole‐ring geometry. The C2—C3 and N1—C5 bonds are noticeably longer than the C4—C5 and N1—C2 bonds. Two independent molecules of the title compound form dimers via intermolecular C—H⃛O hydrogen bonds [D⃛A = 3.400 (3) Å and D—H⃛A = 157°]. The perpendicular orientation of the phenyl and pyrrole rings of one independent molecule and its symmetry‐related molecule allows C—H⃛π interactions, with an H⃛centroid distance of 2.85 Å and a C—H⃛π angle of 155°. The distances between the H atom and the pyrrole‐ring atoms indicate that the C—H bond points towards one of the bonds in the pyrrole ring. 相似文献
20.
Urmila H. Patel Chaitanya G. Dave Mukesh M. Jotani Hetal C. Shah 《Acta Crystallographica. Section C, Structural Chemistry》2003,59(1):o30-o32
In the title compound, C23H20N2O2S, the central thienopyridine ring system is essentially planar, the dihedral angle between the planes of the two rings being 0.3 (2)°. The terminal ethyl carboxylate group is twisted by 26.7 (3)° away from the central ring system. A short intramolecular hydrogen bond involving the amino N atom and the carbonyl O atom [N⋯O = 2.806 (4) Å] forms a pseudo‐six‐membered ring. Significant intermolecular C—H⋯N, C—H⋯O and C—H⋯π interactions contribute strongly to the stability of the structure, along with weak π–π‐stacking interactions. 相似文献