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1.
Christopher Glidewell John N. Low Janet M. S. Skakle James L. Wardell 《Acta Crystallographica. Section C, Structural Chemistry》2003,59(9):o509-o511
In the title compound, 4‐iodoanilinium 2‐carboxy‐6‐nitrobenzoate, C6H7IN+·C8H4NO6−, the anions are linked by an O—H...O hydrogen bond [H...O = 1.78 Å, O...O = 2.614 (3) Å and O—H...O = 171°] into C(7) chains, and these chains are linked by two two‐centre N—H...O hydrogen bonds [H...O = 1.86 and 1.92 Å, N...O = 2.700 (3) and 2.786 (3) Å, and N—H...O = 153 and 158°] and one three‐centre N—H...(O)2 hydrogen bond [H...O = 2.02 and 2.41 Å, N...O = 2.896 (3) and 2.789 (3) Å, N—H...O = 162 and 105°, and O...H...O = 92°], thus forming sheets containing R(6), R(8), R(13) and R(18) rings. 相似文献
2.
Bernard Marciniak 《Acta Crystallographica. Section C, Structural Chemistry》2007,63(7):o419-o422
The asymmetric unit of the title compound, C10H8O2, contains two practically planar symmetry‐independent molecules linked by one O—H...O hydrogen bond. Molecules are further linked into a three‐dimensional network, which is built from R66(36), R66(18), R66(30) and R44(26) rings formed by the combined effect of three O—H...O and one C—H...O hydrogen bond. This network is additionally stabilized by an O—H...π interaction. 相似文献
3.
Maya Tutughamiarso Ernst Egert 《Acta Crystallographica. Section C, Structural Chemistry》2011,67(11):o439-o445
In order to investigate the relative stability of N—H...O and N—H...S hydrogen bonds, we cocrystallized the antithyroid drug 6‐propyl‐2‐thiouracil with two complementary heterocycles. In the cocrystal pyrimidin‐2‐amine–6‐propyl‐2‐thiouracil (1/2), C4H5N3·2C7H10N2OS, (I), the `base pair' is connected by one N—H...S and one N—H...N hydrogen bond. Homodimers of 6‐propyl‐2‐thiouracil linked by two N—H...S hydrogen bonds are observed in the cocrystal N‐(6‐acetamidopyridin‐2‐yl)acetamide–6‐propyl‐2‐thiouracil (1/2), C9H11N3O2·2C7H10N2OS, (II). The crystal structure of 6‐propyl‐2‐thiouracil itself, C7H10N2OS, (III), is stabilized by pairwise N—H...O and N—H...S hydrogen bonds. In all three structures, N—H...S hydrogen bonds occur only within R22(8) patterns, whereas N—H...O hydrogen bonds tend to connect the homo‐ and heterodimers into extended networks. In agreement with related structures, the hydrogen‐bonding capability of C=O and C=S groups seems to be comparable. 相似文献
4.
Alexander S. Lyakhov Ludmila S. Ivashkevich Vladimir L. Survilo Alexander M. Kipnis Tatjana V. Trukhachova 《Acta Crystallographica. Section C, Structural Chemistry》2012,68(9):o365-o368
The title compounds, C8H11NO, (I), and 2C8H12NO+·C4H4O42−, (II), both crystallize in the monoclinic space group P21/c. In the crystal structure of (I), intermolecular O—H...N hydrogen bonds combine the molecules into polymeric chains extending along the c axis. The chains are linked by C—H...π interactions between the methylene H atoms and the pyridine rings into polymeric layers parallel to the ac plane. In the crystal structure of (II), the succinate anion lies on an inversion centre. Its carboxylate groups interact with the 2‐ethyl‐3‐hydroxy‐6‐methylpyridinium cations via intermolecular N—H...O hydrogen bonds with the pyridine ring H atoms and O—H...O hydrogen bonds with the hydroxy H atoms to form polymeric chains, which extend along the [01] direction and comprise R44(18) hydrogen‐bonded ring motifs. These chains are linked to form a three‐dimensional network through nonclassical C—H...O hydrogen bonds between the pyridine ring H atoms and the hydroxy‐group O atoms of neighbouring cations. π–π interactions between the pyridine rings and C—H...π interactions between the methylene H atoms of the succinate anion and the pyridine rings are also present in this network. 相似文献
5.
Maria E. Sulbaran Gerzon E. Delgado Asilo J. Mora Ali Bahsas Hector Novoa de Armas Norbert Blaton 《Acta Crystallographica. Section C, Structural Chemistry》2007,63(9):o543-o545
In the title compound, C6H8N2O2S, also known as N‐acetyl‐2‐thiohydantoin–alanine, the molecules are joined by N—H...O hydrogen bonds, forming centrosymmetric R22(8) dimers; these dimers are linked by C—H...O interactions to form R22(10) rings, thus forming C22(10) chains that run along the [101] direction. 相似文献
6.
Nada Kouti‐Hulita Miroslav
egarac 《Acta Crystallographica. Section C, Structural Chemistry》2005,61(3):o171-o173
In the crystal structure of (R)‐N,N‐diisopropyl‐3‐(2‐hydroxy‐5‐methylphenyl)‐3‐phenylpropylaminium (2R,3R)‐hydrogen tartrate, C22H32NO+·C4H5O6−, the hydrogen tartrate anions are linked by O—H⋯O hydrogen bonds to form helical chains built from (9) rings. These chains are linked by the tolterodine molecules via N—H⋯O and O—H⋯O hydrogen bonds to form separate sheets parallel to the (101) plane. 相似文献
7.
Edison Castro Henry Insuasty Braulio Insuasty Justo Cobo Christopher Glidewell 《Acta Crystallographica. Section C, Structural Chemistry》2014,70(11):1064-1068
The title compound, C18H18N4OS2, was prepared by reaction of S,S‐diethyl 2‐thenoylimidodithiocarbonate with 5‐amino‐3‐(4‐methylphenyl)‐1H‐pyrazole using microwave irradiation under solvent‐free conditions. In the molecule, the thiophene unit is disordered over two sets of atomic sites, with occupancies of 0.814 (4) and 0.186 (4), and the bonded distances provide evidence for polarization in the acylthiourea fragment and for aromatic type delocalization in the pyrazole ring. An intramolecular N—H...O hydrogen bond is present, forming an S(6) motif, and molecules are linked by N—H...O and N—H...N hydrogen bonds to form a ribbon in which centrosymmetric R22(4) rings, built from N—H...O hydrogen bonds and flanked by inversion‐related pairs of S(6) rings, alternate with centrosymmetric R22(6) rings built from N—H...N hydrogen bonds. 相似文献
8.
Christopher Glidewell John N. Low Susan A. McWilliam Janet M. S. Skakle James L. Wardell 《Acta Crystallographica. Section C, Structural Chemistry》2002,58(2):o97-o99
In 2‐trifluoromethyl‐4‐nitroaniline, C7H5F3N2O2, (I), the molecules lie across a mirror plane in space group Pnma. The molecules are linked by paired N—H?O hydrogen bonds to form a C(8)[R(6)] chain of rings, pairs of which are linked into a molecular ladder by a single C—H?O hydrogen bond. The isomeric 3‐trifluoromethyl‐4‐nitroaniline, (II), has Z′ = 2 in space group P21/c. Each molecule is linked to four others by N—H?O hydrogen bonds to form sheets built from alternating R(12) and R(32) rings. 相似文献
9.
Shailesh K. Goswami Lyall R. Hanton C. John McAdam Stephen C. Moratti Jim Simpson 《Acta Crystallographica. Section C, Structural Chemistry》2013,69(4):407-411
The title compounds, C11H11BrO3, (I), and C11H11NO5, (II), respectively, are derivatives of 6‐hydroxy‐5,7,8‐trimethylchroman‐2‐one substituted at the 5‐position by a Br atom in (I) and by a nitro group in (II). The pyranone rings in both molecules adopt half‐chair conformations, and intramolecular O—H...Br [in (I)] and O—H...Onitro [in (II)] hydrogen bonds affect the dispositions of the hydroxy groups. Classical intermolecular O—H...O hydrogen bonds are found in both molecules but play quite dissimilar roles in the crystal structures. In (I), O—H...O hydrogen bonds form zigzag C(9) chains of molecules along the a axis. Because of the tetragonal symmetry, similar chains also form along b. In (II), however, similar contacts involving an O atom of the nitro group form inversion dimers and generate R22(12) rings. These also result in a close intermolecular O...O contact of 2.686 (4) Å. For (I), four additional C—H...O hydrogen bonds combine with π–π stacking interactions between the benzene rings to build an extensive three‐dimensional network with molecules stacked along the c axis. The packing in (II) is much simpler and centres on the inversion dimers formed through O—H...O contacts. These dimers are stacked through additional C—H...O hydrogen bonds, and further weak C—H...O interactions generate a three‐dimensional network of dimer stacks. 相似文献
10.
Simon J. Garden Cíntia de A. Custdio James L. Wardell John N. Low Christopher Glidewell 《Acta Crystallographica. Section C, Structural Chemistry》2007,63(7):o408-o410
The molecules of 2‐cyano‐4‐iodoacetanilide, C9H7IN2O, are linked by N—H...N and C—H...O hydrogen bonds into chains of alternating R22(12) and R22(14) rings. 相似文献
11.
Ewa Rozycka‐Sokolowska Bernard Marciniak 《Acta Crystallographica. Section C, Structural Chemistry》2009,65(11):o565-o568
The crystal structure of the title compound, C10H9NO, (I), contains intermolecular O—H...N and N—H...O hydrogen bonds which together form sheets parallel to the (001) plane containing rings with an unusual R44(18) motif. These rings are additionally stabilized by an intermolecular π–π stacking interaction. The significance of this study lies in the comparison drawn between the molecular structure of (I) and those of related compounds (1,5‐diaminonaphthalene, 8‐amino‐2‐naphthol, 3‐amino‐2‐naphthol and aniline), which shows a close similarity in the noncoplanar orientation of the amine group and the aromatic moiety. Comparison of the crystal structures of (I) and several of its simple analogues (1‐naphthol, naphthalene‐1,4‐diol, naphthalene‐1,5‐diol and 4‐chloro‐1‐naphthol) shows a close similarity in the packing of the molecules, which form π‐stacks along the shortest crystallographic axes with a substantial spatial overlap between adjacent molecules. 相似文献
12.
Jaime Portilla Ina Ontiveros Justo Cobo Christopher Glidewell 《Acta Crystallographica. Section C, Structural Chemistry》2013,69(2):172-174
The molecular skeleton of the title compound, C11H9F3N4O2, is almost planar and exhibits a polarized (charge‐separated) electronic structure in the nitroaniline portion. Molecules are linked by N—H...N and C—H...O hydrogen bonds to form a chain in which centrosymmetric R22(6) and R22(16) rings alternate. 相似文献
13.
Guillaume Journot Reinhard Neier Helen Stoeckli‐Evans 《Acta Crystallographica. Section C, Structural Chemistry》2012,68(3):o119-o122
In the title compounds, C11H18N2, (II), and C13H20N2O, (III), the pyrrolidine rings have twist conformations. Compound (II) crystallizes with two independent molecules (A and B) in the asymmetric unit. The mean planes of the pyrrole and pyrrolidine rings are inclined to one another by 89.99 (11) and 89.35 (10)° in molecules A and B, respectively. In (III), the amide derivative of (II), the same dihedral angle is much smaller, at only 13.42 (10)°. In the crystal structure of (II), the individual molecules are linked via N—H...N hydrogen bonds to form inversion dimers, each with an R22(12) graph‐set motif. In the crystal structure of (III), the molecules are linked via N—H...O hydrogen bonds to form inversion dimers with an R22(16) graph‐set motif. 相似文献
14.
Juan C. Castillo Rodrigo Abonía Michael B. Hursthouse Justo Cobo Christopher Glidewell 《Acta Crystallographica. Section C, Structural Chemistry》2009,65(10):o495-o497
In the title compound, C23H22N4O, there is evidence for some bond fixation in the aryl component of the quinolinone unit. Pairs of molecules related by inversion are linked into R22(8) dimers by almost linear N—H...O hydrogen bonds, and dimers related by inversion are linked into chains by a single aromatic π–π stacking interaction. 相似文献
15.
Jorge Trilleras John N. Low Justo Cobo Antonio Marchal Christopher Glidewell 《Acta Crystallographica. Section C, Structural Chemistry》2008,64(3):o145-o148
The pyrimidine rings in ethyl (E)‐3‐[2‐amino‐4,6‐bis(dimethylamino)pyrimidin‐5‐yl]‐2‐cyanoacrylate, C14H20N6O2, (I), and 2‐[(2‐amino‐4,6‐di‐1‐piperidylpyrimidin‐5‐yl)methylene]malononitrile, C18H23N7, (II), which crystallizes with Z′ = 2 in the space group, are both nonplanar with boat conformations. The molecules of (I) are linked by a combination of N—H...N and N—H...O hydrogen bonds into chains of edge‐fused R22(8) and R44(20) rings, while the two independent molecules in (II) are linked by four N—H...N hydrogen bonds into chains of edge‐fused R22(8) and R22(20) rings. This study illustrates both the readiness with which highly‐substituted pyrimidine rings can be distorted from planarity and the significant differences between the supramolecular aggregation in two rather similar compounds. 相似文献
16.
The title salts, 4‐chloroanilinium hydrogen phthalate (PCAHP), C6H7ClN+·C8H5O4−, 2‐hydroxyanilinium hydrogen phthalate (2HAHP), C6H8NO+·C8H5O4−, and 3‐hydroxyanilinium hydrogen phthalate (3HAHP), C6H8NO+·C8H5O4−, all crystallize in the space group P21/c. The asymmetric unit of 2HAHP contains two independent ion pairs. The hydrogen phthalate ions of 2HAHP and 3HAHP show a short intramolecular O—H...O hydrogen bond, with O...O distances ranging from 2.3832 (15) to 2.3860 (14) Å. N—H...O and O—H...O hydrogen bonds, together with short C—H...O contacts in PCAHP and 3HAHP, generate extended hydrogen‐bond networks. PCAHP forms a two‐dimensional supramolecular sheet extending in the (100) plane, whereas 2HAHP has a supramolecular chain running parallel to the [100] direction and 3HAHP has a two‐dimensional network extending parallel to the (001) plane. 相似文献
17.
Fabin Orozco Braulio Insuasty Justo Cobo Christopher Glidewell 《Acta Crystallographica. Section C, Structural Chemistry》2009,65(5):o229-o232
In the title compound, C24H18N4O3S·C2H6OS, the biindenylidene component shows evidence of polarization of the electronic structure. The dimethyl sulfoxide solvent molecules are disordered over two sites, and they are linked to the biindenylidenedione components via N—H...O and C—H...O hydrogen bonds. A combination of N—H...N and N—H...O hydrogen bonds links the nonsolvent components into a chain of edge‐fused centrosymmetric R22(8) and R22(22) rings, and these chains are linked into sheets by a single aromatic π–π stacking interaction. 相似文献
18.
Christopher Glidewell John N. Low Manuel Melguizo Antonio Quesada 《Acta Crystallographica. Section C, Structural Chemistry》2003,59(1):o14-o18
In 2‐amino‐4,6‐dimethoxy‐5‐nitropyrimidine, C6H8N4O4, the molecules are linked by one N—H⋯N and one N—H⋯O hydrogen bond to form sheets built from alternating R(8) and R(32) rings. In isomeric 4‐amino‐2,6‐dimethoxy‐5‐nitropyrimidine, C6H8N4O4, which crystallizes with Z′ = 2 in P, the two independent molecules are linked into a dimer by two independent N—H⋯N hydrogen bonds. These dimers are linked into sheets by a combination of two‐centre C—H⋯O and three‐centre C—H⋯(O)2 hydrogen bonds, and the sheets are further linked by two independent aromatic π–π‐stacking interactions to form a three‐dimensional structure. 相似文献
19.
Onur ahin Orhan Büyükgüngr Dursun Ali Kse Hacali Necefoglu 《Acta Crystallographica. Section C, Structural Chemistry》2008,64(10):m317-m320
The title compound, [Co(C7H5O3)2(C6H6N2O)2(H2O)2], forms a three‐dimensional hydrogen‐bonded supramolecular structure. The CoII ion is in an octahedral coordination environment comprising two pyridyl N atoms, two carboxylate O atoms and two O atoms from water molecules. Intermolecular N—H...O and O—H...O hydrogen bonds produce R22(8), R22(12) and R22(14) rings, which lead to two‐dimensional chains. An extensive three‐dimensional supramolecular network of C—H...O, N—H...O and O—H...O hydrogen bonds and C—H...π interactions is responsible for crystal structure stabilization. This study is an example of the construction of a supramolecular assembly based on hydrogen bonds in mixed‐ligand metal complexes. 相似文献
20.
Onur ahin Orhan Büyükgüngr Dursun Ali Kse Hacali Necefoglu 《Acta Crystallographica. Section C, Structural Chemistry》2007,63(11):m510-m512
The title compound, [Cu(C7H5O3)2(C6H6N2O)2(H2O)2], is a two‐dimensional hydrogen‐bonded supramolecular complex. The CuII ion resides on a centre of symmetry and is in an octahedral coordination environment comprising two pyridine N atoms, two carboxylate O atoms and two O atoms from water molecules. Intermolecular N—H...O and O—H...O hydrogen bonds produce R22(4), R22(8) and R22(15) rings which lead to one‐dimensional polymeric chains. An extensive two‐dimensional network of N—H...O and O—H...O hydrogen bonds and C—H...π interactions are responsible for crystal stabilization. 相似文献