共查询到20条相似文献,搜索用时 31 毫秒
1.
Zhenfeng Zhang Dong Xian Jianping Li Guisheng Zhang 《Acta Crystallographica. Section C, Structural Chemistry》2008,64(4):o191-o194
In 1‐(4‐chloroanilinomethyl)‐5‐(4‐chlorophenyl)‐1,3,5‐triazinane‐2‐thione, C16H16Cl2N4S, there are two independent molecules in the asymmetric unit which form inversion dimers via two weak N—H...S hydrogen bonds. The dimers are then linked into C(9)C(14) chains by a C—H...S hydrogen bond and a C—H...Cl contact. In 1‐(anilinomethyl)‐5‐phenyl‐1,3,5‐triazinane‐2‐thione, C16H18N4S, molecules are linked into complex sheets via a combination of N—H...S and C—H...π hydrogen bonds. 相似文献
2.
Yao‐Cheng Shi Bei‐Bei Zhu Xiao‐Bi Jing 《Acta Crystallographica. Section C, Structural Chemistry》2006,62(11):m559-m562
The molecules of N,N′‐bis(2‐pyridylmethyl)ferrocene‐1,1′‐diyldicarboxamide, [Fe(C12H11N2O)2], contain intramolecular N—H⋯N hydrogen bonds and are linked into sheets by three independent C—H⋯O hydrogen bonds. The molecules of the isomeric compound N,N′‐bis(3‐pyridylmethyl)ferrocene‐1,1′‐diyldicarboxamide lie across inversion centres, and the molecules are linked into sheets by a combination of N—H⋯N hydrogen bonds and π–π stacking interactions between pyridyl groups. 相似文献
3.
Susan A. McWilliam Janet M. S. Skakle John N. Low James L. Wardell Simon J. Garden Angelo C. Pinto Jose C. Torres Christopher Glidewell 《Acta Crystallographica. Section C, Structural Chemistry》2001,57(8):942-945
In the triclinic polymorph of 2‐iodo‐4‐nitroaniline, C6H5IN2O2, space group P, the molecules are linked by paired N—H?O hydrogen bonds into C(8)[R(6)] chains of rings. These chains are linked into sheets by nitro?I interactions, and the sheets are pairwise linked by aromatic π–π‐stacking interactions. In the orthorhombic polymorph, space group Pbca, the molecules are linked by single N—H?O hydrogen bonds into spiral C(8) chains; the chains are linked by nitro?O interactions into sheets, each of which is linked to its two immediate neighbours by aromatic π–π‐stacking interactions, so producing a continuous three‐dimensional structure. 相似文献
4.
Jorge Trilleras Jairo Quiroga Justo Cobo Michael B. Hursthouse Christopher Glidewell 《Acta Crystallographica. Section C, Structural Chemistry》2009,65(4):o134-o139
Molecules of 1,3‐dimethyl‐7‐(4‐methylphenyl)pyrido[2,3‐d]pyrimidine‐2,4(1H,3H)‐dione, C16H15N3O2, (I), are linked by paired C—H...O hydrogen bonds to form centrosymmetric R22(10) dimers, which are linked into chains by a single π–π stacking interaction. A single C—H...O hydrogen bond links the molecules of 7‐(biphenyl‐4‐yl)‐1,3‐dimethylpyrido[2,3‐d]pyrimidine‐2,4(1H,3H)‐dione, C21H17N3O2, (II), into C(10) chains, which are weakly linked into sheets by a π–π stacking interaction. In 7‐(4‐fluorophenyl)‐3‐methylpyrido[2,3‐d]pyrimidine‐2,4(1H,3H)‐dione, C14H10FN3O2, (III), an N—H...O hydrogen bond links the molecules into C(6) chains, which are linked into sheets by a π–π stacking interaction. The molecules of 7‐(4‐methoxyphenyl)‐3‐methylpyrido[2,3‐d]pyrimidine‐2,4(1H,3H)‐dione, C15H13N3O3, (IV), are also linked into C(6) chains by an N—H...O hydrogen bond, but here the chains are linked into sheets by a combination of two independent C—H...π(arene) hydrogen bonds. 相似文献
5.
Edwar Corts Rodrigo Abonía Justo Cobo Christopher Glidewell 《Acta Crystallographica. Section C, Structural Chemistry》2013,69(1):77-81
In methyl 4‐(4‐chloroanilino)‐3‐nitrobenzoate, C14H11ClN2O4, (I), there is an intramolecular N—H...O hydrogen bond and the intramolecular distances provide evidence for electronic polarization of the o‐quinonoid type. The molecules are linked into sheets built from N—H...O, C—H...O and C—H...π(arene) hydrogen bonds, together with an aromatic π–π stacking interaction. The molecules of methyl 1‐benzyl‐2‐(4‐chlorophenyl)‐1H‐benzimidazole‐5‐carboxylate, C22H17ClN2O2, (II), are also linked into sheets, this time by a combination of C—H...π(arene) hydrogen bonds and aromatic π–π stacking interactions. 相似文献
6.
Maciej Kubicki Wiesaw Prukaa Bogdan Marciniec 《Acta Crystallographica. Section C, Structural Chemistry》2007,63(12):o690-o692
The crystal structures of 9‐[(E)‐(4‐nitrophenyl)vinyl]‐9H‐carbazole and 9‐[(E)‐(3‐nitrophenyl)vinyl]‐9H‐carbazole, both C20H14N2O2, are determined mainly by van der Waals forces and π–π interactions between the carbazole and benzene systems. However, the packing modes are different. In the 4‐nitro derivative, the molecules in the weakly bound stack are related by a unit‐cell translation, while in the 3‐nitro derivative there are centrosymmetric pairs of molecules joined by π–π interactions and also pairs of molecules, related by another centre of symmetry, connected by eight relatively short C—H...O interactions. 相似文献
7.
Simon J. Garden Marilza B. Corrêa Angelo C. Pinto James L. Wardell John N. Low Christopher Glidewell 《Acta Crystallographica. Section C, Structural Chemistry》2007,63(4):o234-o238
In ethyl N‐[2‐(hydroxyacetyl)phenyl]carbamate, C11H13NO4, all of the non‐H atoms lie on a mirror plane in the space group Pnma; the molecules are linked into simple chains by a single C—H⋯O hydrogen bond. The molecules of ethyl N‐[2‐(hydroxyacetyl)‐4‐iodophenyl]carbamate, C11H12INO4, are linked into sheets by a combination of O—H⋯I and C—H⋯O hydrogen bonds and a dipolar I⋯O contact. Ethyl N‐[2‐(hydroxyacetyl)‐4‐methylphenyl]carbamate, C12H15NO4, crystallizes with Z′ = 2 in the space group P; pairs of molecules are weakly linked by an O—H⋯O hydrogen bond and these aggregates are linked into chains by two independent aromatic π–π stacking interactions. 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.
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
10.
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
11.
Rodrigo Abonía Paola Cuervo Michael B. Hursthouse Justo Cobo Christopher Glidewell 《Acta Crystallographica. Section C, Structural Chemistry》2010,66(1):o44-o46
The bond distances in the molecule of the title compound, C19H14N2O4, provide evidence for electronic polarization in the aminoarylpropenone fragment and for bond fixation in the quinolinone unit. Molecules are linked by N—H...O and C—H...O hydrogen bonds into chains in which centrosymmetric rings of R22(8) and R22(18) types alternate, and these chains are linked into sheets by a single aromatic π–π stacking interaction. 相似文献
12.
Choudhury M. Zakaria George Ferguson Alan J. Lough Christopher Glidewell 《Acta Crystallographica. Section C, Structural Chemistry》2002,58(1):o1-o5
In the adduct 1,2‐bis(4‐pyridyl)ethane–1,1,1‐tris(4‐hydroxyphenyl)ethane (1/2), C12H12N2·2C20H18O3, the bipyridyl component lies across an inversion centre in P. The tris‐phenol molecules [systematic name: 4,4′,4′′‐(ethane‐1,1,1‐triyl)triphenol] are linked by O—H?O hydrogen bonds to form sheets built from R(38) rings, and symmetry‐related pairs of sheets are linked by the bipyridyl molecules via O—H?N hydrogen bonds to form open bilayers. Each bilayer is interwoven with two adjacent bilayers, forming a continuous three‐dimensional structure. In the adduct 1,2‐bis(4‐pyridyl)ethene–1,1,1‐tris(4‐hydroxyphenyl)ethane–methanol (1/1/1), C12H10N2·C20H18O3·CH4O, the molecules are linked by O—H?O and O—H?N hydrogen bonds into three interwoven three‐dimensional frameworks, generated by single spiral chains along [010] and [001] and a triple‐helical spiral along [100]. 相似文献
13.
Sandra L. Gmez Carlos M. Sanabria Alirio Palma Ali Bahsas Justo Cobo Christopher Glidewell 《Acta Crystallographica. Section C, Structural Chemistry》2009,65(9):o465-o469
In (2RS,4SR)‐7‐chloro‐2‐exo‐(2‐chloro‐6‐fluorophenyl)‐2,3,4,5‐tetrahydro‐1H‐1,4‐epoxy‐1‐benzazepine, C16H12Cl2FNO, (I), molecules are linked into chains by a single C—H...π(arene) hydrogen bond. (2RS,4SR)‐2‐exo‐(2‐Chloro‐6‐fluorophenyl)‐2,3,4,5‐tetrahydro‐1H‐1,4‐epoxy‐1‐benzazepine, C16H13ClFNO, (II), is isomorphous with compound (I) but not strictly isostructural with it, as the hydrogen‐bonded chains in (II) are linked into sheets by an aromatic π–π stacking interaction. The molecules of (2RS,4SR)‐7‐methyl‐2‐exo‐(4‐methylphenyl)‐2,3,4,5‐tetrahydro‐1H‐1,4‐epoxy‐1‐benzazepine, C18H19NO, (III), are linked into sheets by a combination of C—H...N and C—H...π(arene) hydrogen bonds. (2S,4R)‐2‐exo‐(2‐Chlorophenyl)‐2,3,4,5‐tetrahydro‐1H‐1,4‐epoxy‐1‐benzazepine, C16H14ClNO, (IV), crystallizes as a single enantiomer and the molecules are linked into a three‐dimensional framework structure by a combination of one C—H...O hydrogen bond and three C—H...π(arene) hydrogen bonds. 相似文献
14.
Thomas J. Payne Chad R. Thurman Hao Yu Qian Sun Dillip K. Mohanty Philip J. Squattrito Mark‐Robin Giolando Christopher R. Brue Kristin Kirschbaum 《Acta Crystallographica. Section C, Structural Chemistry》2010,66(7):o369-o373
N,N′‐Diethyl‐4‐nitrobenzene‐1,3‐diamine, C10H15N3O2, (I), crystallizes with two independent molecules in the asymmetric unit, both of which are nearly planar. The molecules differ in the conformation of the ethylamine group trans to the nitro group. Both molecules contain intramolecular N—H...O hydrogen bonds between the adjacent amine and nitro groups and are linked into one‐dimensional chains by intermolecular N—H...O hydrogen bonds. The chains are organized in layers parallel to (101) with separations of ca 3.4 Å between adjacent sheets. The packing is quite different from what was observed in isomeric 1,3‐bis(ethylamino)‐2‐nitrobenzene. 2,6‐Bis(ethylamino)‐3‐nitrobenzonitrile, C11H14N4O2, (II), differs from (I) only in the presence of the nitrile functionality between the two ethylamine groups. Compound (II) crystallizes with one unique molecule in the asymmetric unit. In contrast with (I), one of the ethylamine groups, which is disordered over two sites with occupancies of 0.75 and 0.25, is positioned so that the methyl group is directed out of the plane of the ring by approximately 85°. This ethylamine group forms an intramolecular N—H...O hydrogen bond with the adjacent nitro group. The packing in (II) is very different from that in (I). Molecules of (II) are linked by both intermolecular amine–nitro N—H...O and amine–nitrile N—H...N hydrogen bonds into a two‐dimensional network in the (10) plane. Alternating molecules are approximately orthogonal to one another, indicating that π–π interactions are not a significant factor in the packing. Bis(4‐ethylamino‐3‐nitrophenyl) sulfone, C16H18N4O6S, (III), contains the same ortho nitro/ethylamine pairing as in (I), with the position para to the nitro group occupied by the sulfone instead of a second ethylamine group. Each 4‐ethylamino‐3‐nitrobenzene moiety is nearly planar and contains the typical intramolecular N—H...O hydrogen bond. Due to the tetrahedral geometry about the S atom, the molecules of (III) adopt an overall V shape. There are no intermolecular amine–nitro hydrogen bonds. Rather, each amine H atom has a long (H...O ca 2.8 Å) interaction with one of the sulfone O atoms. Molecules of (III) are thus linked by amine–sulfone N—H...O hydrogen bonds into zigzag double chains running along [001]. Taken together, these structures demonstrate that small changes in the functionalization of ethylamine–nitroarenes cause significant differences in the intermolecular interactions and packing. 相似文献
15.
Jaime Portilla Diego Estupian Justo Cobo Christopher Glidewell 《Acta Crystallographica. Section C, Structural Chemistry》2010,66(3):o133-o136
The title compound, C19H16N6, crystallizes with Z′ = 2 in the space group P21/n. The two molecules in the selected asymmetric unit are approximate mirror images of one another; most corresponding pairs of atoms are related by an approximate half‐cell translation along [100]. Each molecule contains an intramolecular N—H...N hydrogen bond and the molecules are linked into complex sheets by a combination of two intermolecular N—H...N and four C—H...π(arene) hydrogen bonds. Comparisons are made with some other 7‐aminopyrazolo[1,5‐a]pyrimidines. 相似文献
16.
Simon J. Garden Fernanda R. da Cunha James L. Wardell Janet M. S. Skakle John N. Low Christopher Glidewell 《Acta Crystallographica. Section C, Structural Chemistry》2002,58(8):o463-o466
In 2,6‐diiodo‐4‐nitrophenol, C6H3I2NO3, the molecules are linked, by an O—H?O hydrogen bond and two iodo–nitro interactions, into sheets, which are further linked into a three‐dimensional framework by aromatic π–π‐stacking interactions. The molecules of 2,6‐diiodo‐4‐nitrophenyl acetate, C8H5I2NO4, lie across a mirror plane in space group Pnma, with the acetyl group on the mirror, and they are linked by a single iodo–nitro interaction to form isolated sheets. The molecules of 2,6‐diiodo‐4‐nitroanisole, C7H5I2NO3, are linked into isolated chains by a single two‐centre iodo–nitro interaction. 相似文献
17.
Kosuke Igawa Nobuto Yoshinari Takumi Konno 《Acta Crystallographica. Section C, Structural Chemistry》2012,68(9):o332-o334
The asymmetric unit of the optically resolved title salt, C8H12N+·C4H5O4S−, contains a 1‐phenylethanaminium monocation and a thiomalate (3‐carboxy‐2‐sulfanylpropanoate) monoanion. The absolute configurations of the cation and the anion are determined to be S and R, respectively. In the crystal, cation–anion N—H...O hydrogen bonds, together with anion–anion O—H...O and S—H...O hydrogen bonds, construct a two‐dimensional supramolecular sheet parallel to the ab plane. The two‐dimensional sheet is linked with the upper and lower sheets through C—H...π interactions to stack along the c axis. 相似文献
18.
Katharine F. Bowes George Ferguson Alan J. Lough Christopher Glidewell 《Acta Crystallographica. Section C, Structural Chemistry》2003,59(3):o147-o149
The title compound is an ethanol‐solvated salt, C16H38N42+·2C11H7O2−·2C2H6O, in which the cation lies across a centre of inversion in P21/c. The ions are linked by N—H⃛O hydrogen bonds [H⃛O = 1.70 and 2.30 Å, N⃛O = 2.624 (2) and 3.136 (2) Å, and N—H⃛O = 178 and 151°], and the ethanol molecule is linked to the anion by an O—H⃛O hydrogen bond [H⃛O = 1.90 Å, O⃛O = 2.728 (2) Å and O—H⃛O = 171°], to form a centrosymmetric five‐component aggregate. C—H⃛O hydrogen bonds and aromatic π–π‐stacking interactions are absent, but the aggregates are linked into sheets by a single C—H⃛π(arene) hydrogen bond. 相似文献
19.
Mustafa Odabaolu idem Albayrak Orhan Büyükgüngr 《Acta Crystallographica. Section C, Structural Chemistry》2005,61(4):o240-o242
Molecules of the title compound, C8H9NO2, are linked into sheets by a combination of C—H·N, O—H·N and O—H·O hydrogen bonds and C—H·π interactions. The hydrogen bonds are arranged as described by the graph‐set ring notations R22(7) and R33(5), and a C8 chain motif. There are two planar symmetry‐independent molecules in the asymmetric unit, with a dihedral angle of 19.24 (5)° between their least‐squares mean planes. 相似文献
20.
The solvothermal reaction of Zn(OAc)2·2H2O with 3,3′‐(diazenediyl)dibenzoic acid (H2ADB) in H2O at 393 K afforded the title complex, [Zn(C14H8N2O4)(H2O)]n. The asymmetric unit contains half a ZnII cation, half an ADB ligand and half a water molecule. Each ZnII centre lies on a crystallographic twofold rotation axis and is five‐coordinated by four O atoms of bridging carboxylate groups from four ADB ligands and one O atom from a water molecule, forming a distorted trigonal–bipyramidal coordination geometry. The [Zn(H2O)] subunits are bridged by carboxylate groups to give one‐dimensional [Zn(μ‐COO)4(H2O)]n chains. The chains are linked by ADB ligands into two‐dimensional sheets, and these sheets are further connected to neighbouring sheets via hydrogen bonds (OW—HW...O), forming a three‐dimensional hydrogen‐bond‐stabilized structure with an unprecedented 374175262 topology. 相似文献