共查询到20条相似文献,搜索用时 15 毫秒
1.
A. R Choudhury K. Nagarajan T. N. Guru Row 《Acta Crystallographica. Section C, Structural Chemistry》2004,60(9):o644-o647
The crystal structures of 1‐(4‐fluorophenyl)‐2‐phenyl‐4,5,6,7‐tetrahydro‐1H‐indole, C20H18FN, and 1‐(4‐fluorophenyl)‐6,6‐dimethyl‐2‐phenyl‐4,5,6,7‐tetrahydro‐1H‐indole, C22H22FN, have been determined in order to study the role of `organic fluorine' in crystal engineering. These molecules pack in the crystal structure via different types of molecular motifs utilizing weak C—H⋯F and C—H⋯π interactions. 相似文献
2.
Daniel E. Lynch Ian McClenaghan 《Acta Crystallographica. Section C, Structural Chemistry》2004,60(1):o1-o5
The crystal structures of four trifluoromethylnitrobenzene analogues (CF3)C6H3(NO2)[C4H8N2]R (where C4H8N2 is piperazinyl and R is ethyl carboxylate, CO2C2H5, or phenyl, C6H5), have been determined, and their conformations and packing arrangements are compared. The four compounds are ethyl 4‐[4‐nitro‐2‐(trifluoromethyl)phenyl]piperazine‐1‐carboxylate, (I), and ethyl 4‐[2‐nitro‐4‐(trifluoromethyl)phenyl]piperazine‐1‐carboxylate, (II), both C14H16F3N3O4, and 1‐[4‐nitro‐2‐(trifluoromethyl)phenyl]‐4‐phenylpiperazine, (III), and 1‐[2‐nitro‐4‐(trifluoromethyl)phenyl]‐4‐phenylpiperazine, (IV), both C17H16F3N3O2. All molecules adopt a rod‐like conformation, while the asymmetric units of (II) and (IV) contain two unique molecules that pack as monodirectional pairs. All molecules pack with C—H⋯O/F close contacts to all but one of the O atoms and to five of the 18 F atoms. 相似文献
3.
Tali Lavy Yana Sheynin Moshe Kapon Menahem Kaftory 《Acta Crystallographica. Section C, Structural Chemistry》2004,60(1):o50-o53
The crystal structures of three 1:2 inclusion compounds that consist of host molecule 2,5‐diphenylhydroquinone (C18H14O2) and the guest molecules 2‐pyridone (C5H5NO), 1,3‐diphenyl‐2‐propen‐1‐one (chalcone, C15H12O) and 1‐(4‐methoxyphenyl)‐3‐phenyl‐2‐propen‐1‐one (4′‐methoxychalcone, C16H14O2) were determined in order to study the ability of guest molecules in inclusion compounds to undergo photoreaction. All of the crystals were found to be photoresistant. The three inclusion compounds crystallize in triclinic space group . In each case, the host/guest ratio is 1:2, with the host molecules occupying crystallographic centers of symmetry and the guest molecules occupying general positions. The guest molecules in each of the inclusion compounds are linked to the host molecules by hydrogen bonds. In the inclusion compound where the guest molecule is pyridone, the host molecule is disordered so that the hydroxy groups are distributed between two different sites, with occupancies of 0.738 (3) and 0.262 (3). The pyridone molecules form dimers via N—H⋯O hydrogen bonds. 相似文献
4.
Gerrit Gobius du Sart Gert O. R. Alberda van Ekenstein Auke Meetsma Gerrit Ten Brinke 《Acta Crystallographica. Section C, Structural Chemistry》2004,60(11):o824-o826
The title compound (D4PyMA), C22H19NO2, exhibits polymorphism after crystallization by slow evaporation from a binary mixture of chloroform and hexane. Long needle‐like crystals have an orthorhombic structure (space group Fdd2), with one molecule in the asymmetric unit, while small tablet‐like crystals exhibit a monoclinic crystal structure (space group P21/n), in which two independent but chemically identical molecules comprise the asymmetric unit. The bond lengths and angles are normal, while the torsion angles around the –C—O– bond linking the diphenyl(4‐pyridyl)methyl and methacrylate groups show the flexibility of the molecule by way of packing effects. The two polymorphs both contain weak C—H⋯π and C—H⋯O/N contacts but have different conformations. 相似文献
5.
C. Malla Reddy Ashwini Nangia Ram K. R. Jetti Roland Boese 《Acta Crystallographica. Section C, Structural Chemistry》2004,60(5):o331-o333
The crystal structure of the title compound, alternatively called 1,2,3‐triiodo‐5‐(triphenylmethyl)benzene, C25H17I3, is analysed in terms of I⋯I and I⋯π interactions and the herring‐bone T motif between phenyl groups. There are two molecules in the asymmetric unit, denoted A and B. Inversion‐related A molecules are connected via an I⋯π interaction (3.641 Å, to a C—C bond mid‐point) to form an I⋯π dimer, and these dimers are connected through symmetry‐independent B molecules via I⋯I [3.5571 (15) Å] and I⋯π (3.561 Å, to a C—C bond mid‐point) interactions. 相似文献
6.
Vasu K. A. Nirmala Deepak Chopra S. Mohan J. Saravanan 《Acta Crystallographica. Section C, Structural Chemistry》2004,60(11):o786-o788
The title compounds, both C23H21ClN2OS, are isomeric, with (I) and (II) being the N‐3‐methylphenyl and N‐2‐methylphenyl derivatives, respectively. The dihedral angle between the 4‐chlorophenyl group and the thiophene ring in (II) [38.1 (1)°] is larger than that in (I) [7.1 (1)°], indicating steric repulsion between the chlorophenyl and o‐toluidine groups in (II). In both compounds, an intramolecular N—H⋯N hydrogen bond forms a pseudo‐six‐membered ring, thus locking the molecular conformation. In the crystal structures, molecules are connected via N—H⋯O hydrogen bonds, forming chains along the b axis in (I) and along the c axis in (II). Intermolecular C—H⋯O/S and π–π interactions are also observed in (II), but not in (I). 相似文献
7.
Maren Pink Doyle Britton Wayland E. Noland Matthew J. Pinnow 《Acta Crystallographica. Section C, Structural Chemistry》2000,56(10):1271-1273
The molecular structures of the title compounds, 2,4,6‐trichlorophenylisonitrile (IUPAC name: 2,4,6‐trichlorophenyl isocyanide), C7H2Cl3N, and 2,4,6‐trichlorobenzonitrile, C7H2Cl3N, are normal. The two structures are not isomorphous, but do contain similar two‐dimensional layers in which pairs of molecules are held together by pairs of Cl?CN [3.245 (3) Å] or Cl?NC [3.153 (2) Å] interactions. The two‐dimensional isomorphism is lost through different layer‐stacking modes. 相似文献
8.
Matthias Zeller Allen D. Hunter 《Acta Crystallographica. Section C, Structural Chemistry》2004,60(6):o415-o417
Achiral p‐nitrophenyl isocyanide, C7H4N2O2, crystallizes in the orthorhombic chiral space group P212121. Attractive intermolecular interactions between the nitro O atoms and both aromatic H and nitro N atoms of neighbouring molecules are observed. The O⋯N interaction is surprisingly strong [N⋯O = 2.869 (2) Å] compared with other aromatic nitro compounds. 相似文献
9.
John Nicolson Low Justo Cobo Braulio Insuasty Henry Insuasty Manuel Nogueras Adolfo Snchez 《Acta Crystallographica. Section C, Structural Chemistry》2002,58(2):o103-o105
In both title compounds, i.e. 3‐methyl‐1,5‐diphenyl‐1,6,7,8‐tetrahydropyrazolo[3,4‐b][1,4]diazepine, C19H18N4, (I), and 5‐(4‐chlorophenyl)‐3‐methyl‐1‐phenyl‐1,6,7,8‐tetrahydropyrazolo[3,4‐b][1,4]diazepine, C19H17ClN4, (II), an N—H?N hydrogen bond links six molecules to form an R(30) ring. Compound (I) crystallizes in the R space group and (II) crystallizes in P with three molecules in the asymmetric unit. The molecule of (I) contains a disordered seven‐membered ring. 相似文献
10.
Kanji Kubo Emi Yamamoto Akira Mori 《Acta Crystallographica. Section C, Structural Chemistry》2001,57(5):611-613
The title compounds, 4‐hydroxy‐5‐oxo‐1,3,6‐cycloheptatriene‐1‐carbonitrile, C8H5NO2, (I), and 2‐hydroxy‐5‐nitro‐2,4,6‐cycloheptatrien‐1‐one, C7H5NO4, (II), have intra‐ and intermolecular hydrogen bonds. The structure of (II) contains two crystallographically independent molecules, (IIa) and (IIb). An intermolecular π–π interaction and an intermolecular NO2?π–π interaction are present in (I) and (II), respectively. 相似文献
11.
Yu‐Xi Sun Ran Zhang Qing‐Mai Jin Xi‐Jing Zhi Xiao‐Ming Lü 《Acta Crystallographica. Section C, Structural Chemistry》2006,62(8):o467-o469
The two title compounds, both with formula C18H16ClN3O, are structurally similar Schiff bases derived from the condensation of 4‐chlorobenzaldehyde or 2‐chlorobenzaldehyde with 4‐aminoantipyrine in methanol solution. As expected, both compounds adopt trans configurations about the central C=N bonds. In the crystal structure of the 4‐chloro analogue, molecules are linked through weak C—H⋯O hydrogen bonds, forming chains running along the a axis. In the crystal structure of the 2‐chloro analogue, molecules are linked through weak C—H⋯O and C—H⋯Cl hydrogen bonds, forming layers parallel to the ab plane. 相似文献
12.
Doyle Britton John R. Sowa Kent R. Mann 《Acta Crystallographica. Section C, Structural Chemistry》2004,60(6):o418-o420
p‐Decylphenyl isocyanide, p‐C10H21–C6H4–NC or C17H25N, and p‐decylbenzonitrile, p‐C10H21–C6H4–CN or C17H25N, are isomorphous. The molecules lie in mirror planes, with the C6 rings perpendicular to the mirror. The packing of both molecules includes an aliphatic region, with close to ideal packing of the C10H21 chains, and an aromatic region, with phenyl ring–CN interactions. In addition, the CN ends of the molecules are also involved in a CN⋯NC dipolar interaction. 相似文献
13.
Simon J. Garden Fernando R. da Cunha Christopher Glidewell John N. Low Janet M. S. Skakle James L. Wardell 《Acta Crystallographica. Section C, Structural Chemistry》2004,60(1):o12-o14
In 2‐hydroxy‐3‐iodo‐5‐nitrobenzaldehyde, C7H4INO4, the molecules are linked into sheets by a combination of C—H⋯O hydrogen bonds and two‐centre iodo–nitro interactions, and these sheets are linked by aromatic π–π stacking interactions. Molecules of 2,4‐diiodo‐6‐nitroanisole, C7H5I2NO3, are disordered, with the nitro group and one of the I substituents each occupying common sets of sites with 0.5 occupancy. The molecules are linked into isolated centrosymmetric dimeric units by a single iodo–nitro interaction. 相似文献
14.
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
15.
Ning‐Hai Hu Heng‐Qing Jia Jing‐Wei Xu Katsuyuki Aoki 《Acta Crystallographica. Section C, Structural Chemistry》2005,61(12):m538-m541
The structure of poly[3‐[(4‐amino‐2‐methylpyrimidin‐1‐ium‐5‐yl)methyl]‐5‐(2‐hydroxyethyl)‐4‐methylthiazolium octa‐μ‐bromo/chloro(4.4/3.6)‐tricadmate(II)], {(C12H18N4OS)[Cd3 Br4.41Cl3.59]}n consists of hydrogen‐bonded thiamine molecules and polymeric cadmium bromide/chloride anions in an organic–inorganic hybrid fashion. The one‐dimensional anion ribbons are formed by edge‐sharing octahedra and vertex‐sharing tetrahedra. Thiamine molecules adopting the S conformation are linked to anions via three types of interactions, namely an N(amino)—H⋯anion⋯thiazolium bridging interaction, an N(pyrimidine)—H⋯anion hydrogen bond and an O(hydroxy)—H⋯anion hydrogen bond. 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.
Manfredo Hrner Almir Luis Brancher Angela Silva Jairo Bordinhao Ccilia M. Mssmer 《Acta Crystallographica. Section C, Structural Chemistry》2004,60(5):o303-o304
The crystal structure of the title compound, C14H12N4O3, shows that the stereochemistry about the N=N double bond of the N=N—N(H) moiety is trans. The whole molecule is almost planar (r.m.s. deviation = 0.0654 Å), the interplanar angle between the phenyl rings being 0.7 (1)° and the largest interplanar angle being that between the phenyl ring and the nitro group of the 4‐nitrophenyl substituent [11.5 (2)°]. Intermolecular N—H⋯O interactions between molecules related by translation give rise to chains along the [110] and [10] directions, and these chains are held together by N⋯O π–π interactions. An unequal distribution of the double‐bond character among the N atoms suggests a delocalization of π electrons over the diazoamine group and the adjacent aryl substituents. 相似文献
18.
Burkhard Schulz Julia Bricks Yan‐Qin Li Ute Resch‐Genger Günter Reck 《Acta Crystallographica. Section C, Structural Chemistry》2004,60(6):o402-o404
1‐Methyl‐2‐[4‐phenyl‐6‐(pyridinium‐2‐yl)pyridin‐2‐yl]pyridinium diperchlorate, C22H19N32+·2ClO4−, (I), and 2‐[4‐(methoxyphenyl)‐2,2′‐bipyridin‐6‐yl]‐1‐methylpyridinium iodide, C23H20N3O+·I−, (II), both crystallize in the monoclinic space group P21/c. In contrast with the monocharged molecule of (II), the doubly charged molecule of (I) contains an additional protonated pyridine ring. One of the two perchlorate counter‐anions of (I) interacts with the cation of (I) via an N—H⋯O hydrogen bond. In (II), two molecules related by a centre of symmetry are connected by weak π–π interactions, forming dimers in the crystal structure. 相似文献
19.
Betül en Serap Alp Gülsiye
ztürk Muhittin Aygün Orhan Büyükgüngr 《Acta Crystallographica. Section C, Structural Chemistry》2007,63(4):o223-o224
Molecules of the title compound, C24H19NO6S, adopt the Z configuration and have a distorted tetrahedral geometry around the S atom. The oxazolone, 2‐phenyl and methoxyphenyl rings are approximately coplanar. The C atom between the methoxyphenyl and oxazolone rings displays a distorted trigonal bonding geometry. Pairs of molecules are linked into dimers through weak C—H⋯O hydrogen bonds. 相似文献
20.
Daniel E. Lynch Ian McClenaghan 《Acta Crystallographica. Section C, Structural Chemistry》2003,59(11):o641-o643
Two chemical isomers of 3‐nitrobenzotrifluoride, namely 1‐(4‐chlorophenylsulfanyl)‐2‐nitro‐4‐(trifluoromethyl)benzene, C13H7ClF3NO2S, (I), and 1‐(4‐chlorophenylsulfanyl)‐4‐nitro‐2‐(trifluoromethyl)benzene, C13H7ClF3NO2S, (II), have been prepared and their crystal structures determined with the specific purpose of forming a cocrystal of the two. The two compounds display a similar conformation, with dihedral angles between the benzene rings of 83.1 (1) and 76.2 (1)°, respectively, but (I) packs in P while (II) packs in P21/c, with C—H⋯O interactions. No cocrystal could be formed, and it is suggested that the C—H⋯O associations in (II) prevent intermolecular mixing and promote phase separation. 相似文献