共查询到20条相似文献,搜索用时 31 毫秒
1.
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
2.
Choudhury M. Zakaria George Ferguson Alan J. Lough Christopher Glidewell 《Acta Crystallographica. Section C, Structural Chemistry》2002,58(1):m5-m7
In ferrocene‐1,1′‐diylbis(diphenylmethanol)–2,2′‐dipyridylamine (1/1), [Fe(C18H15O)2]·C10H9N3, (I), there is an intramolecular O—H?O hydrogen bond [H?O 2.03 Å, O?O 2.775 (2) Å and O—H?O 147°] in the ferrocenediol component, and the two neutral molecular components are linked by one O—H?N hydrogen bond [H?N 1.96 Å, O?N 2.755 (2) Å and O—H?N, 157°] and one N—H?O hydrogen bond [H?O 2.26 Å, N?O 3.112 (2) Å and N—H?O 164°] forming a cyclic R(8) motif. One of the pyridyl N atoms plays no part in the intermolecular hydrogen bonding, but participates in a short intramolecular C—H?N contact [H?N 2.31 Å, C?N 2.922 (2) Å and C—H?N 122°]. 相似文献
3.
igdem Albayrak Mustafa Odabaolu Orhan Büyükgüngr Peter Lnnecke 《Acta Crystallographica. Section C, Structural Chemistry》2004,60(5):o318-o320
The molecule of the former title compound, C13H9ClN2O2, (I), is nearly planar, with an intramolecular O⋯O hydrogen bond of 2.692 (2) Å. The latter title compound, C17H18ClN3O4, (II), exists in the keto–amine tautomeric form, with a strong intramolecular hydrogen bond of 2.640 (2) Å between the O and N atoms, the H atom being bonded to the N atom. The azobenzene moieties of both molecules have trans configurations, and the dihedral angle between the planes of the two aromatic rings is 4.1 (1)° in (I) and 9.9 (1)° in (II). The N—H⋯O hydrogen‐bonded rings are almost planar and coupled with the cyclohexadiene rings in (II). 相似文献
4.
Carlos E. M. Carvalho Solange M. S. V. Wardell James L. Wardell Janet M. S. Skakle John N. Low Christopher Glidewell 《Acta Crystallographica. Section C, Structural Chemistry》2004,60(1):o28-o32
Molecules of the title compounds N2‐(benzoyloxy)benzamidine, C14H12N2O2, (I), N2‐(2‐hydroxybenzoyloxy)benzamidine, C14H12N2O3, (II), and N2‐benzoyloxy‐2‐hydroxybenzamidine, C14H12N2O3, (III), all have extended chain conformations, with the aryl groups remote from one another. In (I), the molecules are linked into chains by a single N—H⋯N hydrogen bond [H⋯N = 2.15 Å, N⋯N = 3.029 (2) Å and N—H⋯N = 153°] and these chains are linked into sheets by means of aromatic π–π stacking interactions. There is one intramolecular O—H⋯O hydrogen bond in (II), and a combination of one three‐centre N—H⋯(N,O) hydrogen bond [H⋯N = 2.46 Å, H⋯O = 2.31 Å, N⋯N = 3.190 (2) Å, N⋯O = 3.146 (2) Å, N—H⋯N = 138° and N—H⋯O = 154°] and one two‐centre C—H⋯O hydrogen bond [H⋯O = 2.46 Å, C⋯O = 3.405 (2) Å and C—H⋯O = 173°] links the molecules into sheets. In (III), an intramolecular O—H⋯N hydrogen bond and two N—H⋯O hydrogen bonds [H⋯O = 2.26 and 2.10 Å, N⋯O = 2.975 (2) and 2.954 (2) Å, and N—H⋯O = 138 and 163°] link the molecules into sheets. 相似文献
5.
Rodolfo Moreno‐Fuquen Eustaquio Vinicius Ribeiro de Castro Margarita Moreno Regina Helena De Almeida Santos Angela Marcela Montao 《Acta Crystallographica. Section C, Structural Chemistry》2000,56(2):206-207
In the title co‐crystal, C7H5NO4·C5H4N2O3, the two components are linked by an intermolecular hydrogen bond between the O—H and N—O groups [O?O 2.577 (3) Å]. The interplanar angle between the planes of the rings of the molecules is 5.3 (2)°. The rings are stacked in the crystal with a mean interplanar distance of 3.279 (3) Å. 相似文献
6.
Canan Kazak Muhittin Aygün Günseli Turgut Mustafa Odabao
lu Süheyla
zbey Orhan Büyükgüngr 《Acta Crystallographica. Section C, Structural Chemistry》2000,56(8):1044-1045
The molecular structure of the title compound, C11H9NOS, has three planar moieties, two of which are rings, namely the hydroxyphenyl and the thiophene, with an angle of 20.76 (10)° between them. The crystal structure is stabilized by an O—H?N hydrogen bond and by C—H?O intermolecular interactions. The C?O intermolecular contact distance is 3.443 (2) Å. 相似文献
7.
Gordana Pavlovi Julija Matijevi Sosa 《Acta Crystallographica. Section C, Structural Chemistry》2000,56(9):1117-1119
The title compound, C18H13NO3, exists as a ketoamino tautomer implying a fairly short N—H?O intramolecular hydrogen bond between the 2‐naphthalenone and amino moieties [N?O 2.531 (3) Å] which is enhanced by the π‐electron delocalization effect. The naphthaldimine and 3‐carboxyphenyl fragments are inclined at an angle of 4.41 (7)°, so the molecule is almost planar. The molecules are connected by intermolecular O—H?O hydrogen bonds between the carboxy and keto O atoms, forming infinite chains around the twofold screw axes parallel to b . 相似文献
8.
Hiroyuki Ishida Bilkish Rahman Setsuo Kashino 《Acta Crystallographica. Section C, Structural Chemistry》2001,57(7):876-879
2‐Chloro‐4‐nitrobenzoic acid and 2‐chloro‐5‐nitrobenzoic acid form O—H?N hydrogen bonds with pyrazine to afford 2:1 complexes of 2C7H4ClNO4·C4H4N2, (I) and (II), respectively, that are located on inversion centers. The 2C7H4ClNO4·C4H4N2 units in both complexes are connected by weak C—H?O hydrogen bonds; the units build a three‐dimensional hydrogen‐bond network in (I) and a ribbon structure in (II). 相似文献
9.
Suchada Chantrapromma Hoong‐Kun Fun Ibrahim Abdul Razak Nisakorn Saewon Chatchanok Karalai Kan Chantrapromma 《Acta Crystallographica. Section C, Structural Chemistry》2000,56(12):e598-e599
In the title compound, C19H20O8, the benzene rings are nearly perpendicular to each other [dihedral angle 80.2 (2)°]. The carboxy group is twisted out while both the methoxy and acetyl groups are almost coplanar with their attached benzene rings. The hydroxy group is involved in an intramolecular O—H?O hydrogen bond with the acetyl O atom and the compound is connected through an intermolecular O—H?O contact to form a dimer. The crystal structure is stabilized by intermolecular O—H?O hydrogen bonds. 相似文献
10.
Christopher Glidewell John N. Low Janet M. S. Skakle James L. Wardell 《Acta Crystallographica. Section C, Structural Chemistry》2004,60(2):o120-o124
Molecules of 2‐(2‐nitrophenylaminocarbonyl)benzoic acid, C14H10N2O5, are linked into centrosymmetric R(8) dimers by a single O—H⋯O hydrogen bond [H⋯O = 1.78 Å, O⋯O = 2.623 (2) Å and O—H⋯O = 178°] and these dimers are linked into sheets by a single aromatic π–π stacking interaction. The isomeric compound 2‐(4‐nitrophenylaminocarbonyl)benzoic acid crystallizes in two polymorphic forms. In the orthorhombic form (space group P212121 with Z′ = 1, crystallized from ethanol), the molecules are linked into sheets of R(22) rings by a combination of one N—H⋯O hydrogen bond [H⋯O = 1.96 Å, N⋯O = 2.833 (3) Å and N—H⋯O = 171°] and one O—H⋯O hydrogen bond [H⋯O = 1.78 Å, O⋯O = 2.614 (3) Å and O—H⋯O = 173°]. In the monoclinic form (space group P21/n with Z′ = 2, crystallized from acetone), the molecules are linked by a combination of two N—H⋯O hydrogen bonds [H⋯O = 2.09 and 2.16 Å, N⋯O = 2.873 (4) and 2.902 (3) Å, and N—H⋯O = 147 and 141°] and two O—H⋯O hydrogen bonds [H⋯O = 1.84 and 1.83 Å, O⋯O = 2.664 (3) and 2.666 (3) Å, and O—H⋯O = 166 and 174°] into sheets of some complexity. These sheets are linked into a three‐dimensional framework by a single C—H⋯O hydrogen bond [H⋯O = 2.45 Å, C⋯O = 3.355 (4) Å and C—H⋯O = 160°]. 相似文献
11.
Ashokkumar Subashini Kandasamy Ramamurthi Helen Stoeckli‐Evans 《Acta Crystallographica. Section C, Structural Chemistry》2012,68(10):o408-o412
The 4‐chloro‐ [C14H11ClN2O2, (I)], 4‐bromo‐ [C14H10BrN2O2, (II)] and 4‐diethylamino‐ [C18H21N3O2, (III)] derivatives of benzylidene‐4‐hydroxybenzohydrazide, all crystallize in the same space group (P21/c), (I) and (II) also being isomorphous. In all three compounds, the conformation about the C=N bond is E. The molecules of (I) and (II) are relatively planar, with dihedral angles between the two benzene rings of 5.75 (12) and 9.81 (17)°, respectively. In (III), however, the same angle is 77.27 (9)°. In the crystal structures of (I) and (II), two‐dimensional slab‐like networks extending in the a and c directions are formed via N—H...O and O—H...O hydrogen bonds. The molecules stack head‐to‐tail viaπ–π interactions involving the aromatic rings [centroid–centroid distance = 3.7622 (14) Å in (I) and 3.8021 (19) Å in (II)]. In (III), undulating two‐dimensional networks extending in the b and c directions are formed via N—H...O and O—H...O hydrogen bonds. The molecules stack head‐to‐head viaπ–π interactions involving inversion‐related benzene rings [centroid–centroid distances = 3.6977 (12) and 3.8368 (11) Å]. 相似文献
12.
John N. Low Antonio Quesada Antonio Marchal Manuel Melguizo Manuel Nogueras Christopher Glidewell 《Acta Crystallographica. Section C, Structural Chemistry》2002,58(5):o289-o294
Molecules of 2‐amino‐4,6‐dimethoxypyrimidine, C6H9N3O2, (I), are linked by two N—H?N hydrogen bonds [H?N 2.23 and 2.50 Å, N?N 3.106 (2) and 3.261 (2) Å, and N—H?N 171 and 145°] into a chain of fused rings, where alternate rings are generated by centres of inversion and twofold rotation axes. Adjacent chains are linked by aromatic π–π‐stacking interactions to form a three‐dimensional framework. In 2‐benzylamino‐4,6‐bis(benzyloxy)pyrimidine, C25H23N3O2, (II), the molecules are linked into centrosymmetric R(8) dimers by paired N—H?N hydrogen bonds [H?N 2.13 Å, N?N 2.997 (2) Å and N—H?N 170°]. Molecules of 2‐amino‐4,6‐bis(N‐pyrrolidino)pyrimidine, C12H19N5, (III), are linked by two N—H?N hydrogen bonds [H?N 2.34 and 2.38 Å, N?N 3.186 (2) and 3.254 (2) Å, and N—H?N 163 and 170°] into a chain of fused rings similar to that in (I). 相似文献
13.
Daniel E. Lynch Ian McClenaghan 《Acta Crystallographica. Section C, Structural Chemistry》2001,57(7):830-832
The structure of the title compound, C9H8N4, comprises non‐planar molecules that associate via pyrimidine N—H?N dimer R(8) hydrogen‐bonding associations [N?N 3.1870 (17) Å] and form linear hydrogen‐bonded chains via a pyrimidine N—H?N(pyridyl) interaction [N?N 3.0295 (19) Å]. The dihedral angle between the two rings is 24.57 (5)°. The structure of the 1:1 adduct with 4‐aminobenzoic acid, C9H8N4·C7H7NO2, exhibits a hydrogen‐bonding network involving COOH?N(pyridyl) [O?N 2.6406 (17) Å], pyrimidine N—H?N [N?N 3.0737 (19) and 3.1755 (18) Å] and acid N—H?O interactions [N?O 3.0609 (17) and 2.981 (2) Å]. The dihedral angle between the two linked rings of the base is 38.49 (6)° and the carboxylic acid group binds to the stronger base group in contrast to the (less basic) complementary hydrogen‐bonding site. 相似文献
14.
Mehmet Akkurt Sema
ztürk Hoong‐Kun Fun Zülbíye
nal Behzat Altural 《Acta Crystallographica. Section C, Structural Chemistry》2000,56(6):e276-e277
The molecule of the title compound, C22H19N3O2S, is not planar. The dihedral angle between the two phenyl rings is 27.46 (7)° and in the dihydropyrazolopyrimidine ring the total puckering amplitude QT is 0.526 (3) Å. The structure is stabilized by both intra‐ and intermolecular C—H?O interaction, and by an intermolecular N—H?S hydrogen bond. 相似文献
15.
Roger E. Gerkin 《Acta Crystallographica. Section C, Structural Chemistry》2000,56(6):674-676
The title compound, C21H18O2, crystallized in the centrosymmetric space group P21/n with one molecule in the asymmetric unit. There is a single hydrogen bond, with an Odonor?Oacceptor distance of 2.624 (2) Å, which forms a cyclic dimer about a center of symmetry. The carboxyl group O atoms are ordered, while the carboxyl‐H atom is disordered. A single leading intermolecular C—H?O interaction has an H?O distance of 2.68 Å and a C—H?O angle of 178°; this interaction forms chains. Taken together with the hydrogen bond, it generates chains and rings. Structural comparisons are made with trans‐cinnamic acid and with 4‐methyl‐trans‐cinnamic acid. 相似文献
16.
Philip J. Cox James L. Wardell 《Acta Crystallographica. Section C, Structural Chemistry》2002,58(8):o515-o517
The molecular structure of the title compound, C20H24B2N2O2S, is characterized by a twofold rotation axis passing through the S atom and the midpoint of the C—C single bond in the thiophene ring. A coordinative NB bond is present in the boroxazolidine ring and a single N—H?O hydrogen bond [H?O 1.93 (3) Å, N?O 2.829 (3) Å and N—H?O 172 (2)°] links the molecules into a molecular ladder. 相似文献
17.
Fiona Brady John F. Gallagher 《Acta Crystallographica. Section C, Structural Chemistry》2000,56(11):1407-1410
The title compound, C17H15NO4, derived from l ‐tyrosine, crystallizes with three independent molecules which differ in the conformation of the asymmetric unit: the N—C—C—Cipso torsion angles are ?71.7 (5), ?63.6 (6) and ?52.5 (5)°, respectively. Deformations in the phenol ring hydroxy O—C—C angles of 116.5 (4)/123.9 (4), 121.7 (5)/118.1 (4) and 122.4 (5)/118.6 (5)°, respectively, result from their respective intermolecular hydrogen‐bonding environments. Intermolecular Oacid—H?O=Cindole, Ophenol—H?O—Hphenol and Ophenol—H?O=Cindole hydrogen bonds, with O?O distances in the range 2.607 (4)–2.809 (4) Å, are present in combination with C—H?O and C—H?πarene interactions. The primary hydrogen‐bonding systems assemble with graph sets R33(8) and R32(22). 相似文献
18.
Nobuo Okabe Michihiro Tsujita 《Acta Crystallographica. Section C, Structural Chemistry》2000,56(12):1418-1419
In the title compound, [Li(C5H3N4O2)(H2O)2]n, the coordinate geometry about the Li+ ion is distorted tetrahedral and the Li+ ion is bonded to N and O atoms of adjacent ligand molecules forming an infinite polymeric chain with Li—O and Li—N bond lengths of 1.901 (5) and 2.043 (6) Å, respectively. Tetrahedral coordination at the Li+ ion is completed by two cis water molecules [Li—O 1.985 (6) and 1.946 (6) Å]. The crystal structure is stabilized both by the polymeric structure and by a hydrogen‐bond network involving N—H?O, O—H?O and O—H?N hydrogen bonds. 相似文献
19.
Shu‐Ping Yang Li‐Jun Han Hai‐Tao Xia Da‐Qi Wang Yu‐Fen Liu 《Acta Crystallographica. Section C, Structural Chemistry》2007,63(12):m610-m614
The two title dinuclear copper(II) complexes, [Cu2Cl4(C17H20Cl2N2)2], (I), and [Cu2Cl4(C19H22N2O4)2], (II), have similar coordination environments. In each complex, the asymmetric unit consists of one half‐molecule and the two copper centres are bridged by a pair of Cl atoms, resulting in complexes with centrosymmetric structures containing Cu(μ‐Cl)2Cu parallelogram cores; the Cu...Cu separations and Cu—Cl—Cu angles are 3.4285 (8) Å and 83.36 (3)°, respectively, for (I), and 3.565 (2) Å and 84.39 (7)° for (II). Each Cu atom is five‐coordinated and the coordination geometry around the Cu atom is best described as a distorted square‐pyramid with a τ value of 0.155 (3) for (I) and 0.092 (7) for (II). The apical Cu—Cl bond length is 2.852 (1) Å for (I) and 2.971 (2) Å for (II). The basal Cu—Cl and Cu—N average bonds lengths are 2.2673 (9) and 2.030 (2) Å, respectively, for (I), and 2.280 (2) and 2.038 (6) Å for (II). The molecules of (I) are linked by one C—H...Cl hydrogen bond into a complex [10] sheet. The molecules of (II) are linked by one C—H...Cl and one N—H...O hydrogen bond into a complex [100] sheet. 相似文献
20.
Roger E. Gerkin 《Acta Crystallographica. Section C, Structural Chemistry》2000,56(10):1218-1219
The title compound, C11H15NO2, crystallized in the centrosymmetric space group P21/n with one molecule in the asymmetric unit. There is a single intermolecular hydrogen bond, in which the Ndonor?Oacceptor distance is 3.0374 (11) Å and the N—H?O angle is 171.0 (12)°. The single intramolecular hydrogen bond has an Odonor?Oacceptor distance of 2.6279 (11) Å and an O—H?O angle of 161.8 (14)°. The four leading intermolecular C—H?O interactions have H?O distances ranging from 2.52 to 2.65 (2) Å and C—H?O angles ranging from 125.2 (9) to 143°. Chains of interactions form two‐dimensional networks. 相似文献