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1.
Christopher Glidewell John N. Low Janet M. S. Skakle James L. Wardell 《Acta Crystallographica. Section C, Structural Chemistry》2004,60(1):o15-o18
2‐Amino‐5‐nitrothiazole crystallizes from solution in ethanol as a monosolvate, C3H3N3O2S·C2H6O, in which the thiazole component has a strongly polarized molecular–electronic structure. The thiazole molecules are linked into centrosymmetric dimers by paired N—H⋯N hydrogen bonds [H⋯N = 2.09 Å, N⋯N = 2.960 (6) Å and N—H⋯N = 169°], and these dimers are linked by the ethanol molecules, via a two‐centred N—H⋯O hydrogen bond [H⋯O = 1.98 Å, N⋯O = 2.838 (5) Å and N—H⋯O = 164°] and a planar asymmetric three‐centred O—H⋯(O)2 hydrogen bond [H⋯O = 2.07 and 2.53 Å, O⋯O = 2.900 (5) and 3.188 (5) Å, O—H⋯O = 169 and 136°, and O⋯H⋯O = 55°], into sheets built from alternating (8) and (38) rings. These sheets are triply interwoven. 相似文献
2.
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
3.
Katharine F. Bowes Christopher Glidewell John N. Low Manuel Melguizo Antonio Quesada 《Acta Crystallographica. Section C, Structural Chemistry》2003,59(1):o4-o8
Crystallization of 2‐amino‐4‐chloro‐6‐morpholinopyrimidine, C8H11ClN4O, (I), yields two polymorphs, both with space group P21/c, having Z′ = 1 (from diethyl ether solution) and Z′ = 2 (from dichloromethane solution), denoted (Ia) and (Ib), respectively. In polymorph (Ia), the molecules are linked by an N—H⋯O and an N—H⋯N hydrogen bond into sheets built from alternating R(8) and R(40) rings. In polymorph (Ib), one molecule acts as a triple acceptor of hydrogen bonds and the other acts as a single acceptor; one N—H⋯O and three N—H⋯N hydrogen bonds link the molecules in a complex chain containing two types of R(8) and one type of R(18) ring. 2‐Amino‐4‐chloro‐6‐piperidinopyrimidine, C9H13ClN4, (II), which is isomorphous with polymorph (Ib), also has Z′ = 2 in P21/c, and the molecules are linked by three N—H⋯N hydrogen bonds into a centrosymmetric four‐molecule aggregate containing three R(8) rings. 相似文献
4.
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
5.
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
6.
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
7.
Rodrigo Abonia Christopher Glidewell John N. Low Manuel Nogueras Jairo Quiroga 《Acta Crystallographica. Section C, Structural Chemistry》2003,59(5):o237-o239
Molecules of the title compound, C14H17N5O4, exhibit a highly polarized molecular–electronic structure. The molecules are linked into sheets by two N—H⋯O hydrogen bonds [H⋯O = 2.03 and 2.02 Å, N⋯O = 2.836 (2) and 2.887 (2) Å, and N—H⋯O = 153 and 168°], augmented by a single C—H⋯O hydrogen bond [H⋯O = 2.47 Å, C⋯O = 3.403 (2) Å and C—H⋯O = 166°]. Pairs of sheets, related by inversion, form bilayers with interdigitated dimethoxybenzyl substituents, weakly linked by a further C—H⋯O interaction [H⋯O = 2.50 Å, C⋯O = 3.350 (2) Å and C—H⋯O = 146°]. 相似文献
8.
John N. Low Justo Cobo Celeste Garcìa Manuel Melguizo Manuel Nogueras Adolfo Snchez Christopher Glidewell 《Acta Crystallographica. Section C, Structural Chemistry》2001,57(5):597-599
In the title compound, C10H9N3O5, which was formed by the reaction of 6‐amino‐2‐methoxy‐4(3H)‐pyrimidinone with dimethyl acetylenedicarboxylate, the molecules are linked by N—H?O hydrogen bonds [N?O 2.8974 (15) and 3.0300 (15) Å, and N—H?O 165 and 174°] into planar sheets built from alternating R22(8) and R66(42) rings. 相似文献
9.
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
10.
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
11.
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
12.
S. Thamotharan V. Parthasarathi Ranju Gupta D. P. Jindal Anthony Linden 《Acta Crystallographica. Section C, Structural Chemistry》2004,60(6):o405-o407
The asymmetric unit of the title compound, C25H30FN3O·0.5CH3OH, contains four symmetry‐independent steroid and two methanol molecules. The conformations of the independent steroid molecules are very similar. Intermolecular O—H⋯O hydrogen bonds create two independent chains, each of which links two of the independent steroid molecules plus one methanol molecule via a co‐operative O—H⋯O—H⋯O—H pattern. Intermolecular C—H⋯O and C—H⋯F interactions are also observed. 相似文献
13.
Muharrem Diner Namk
zdemir Ahmet etin Tekin Keser Orhan Büyükgüngr 《Acta Crystallographica. Section C, Structural Chemistry》2006,62(11):o639-o642
In the title compound, C22H25N5OS·2H2O, the molecules are stacked in columns running along the b axis. In this arrangemant, the molecules are linked to each other by a combination of one two‐centre N—H⋯O hydrogen bond and four two‐centre O—H⋯O hydrogen bonds containing two types of ring motif, viz.R44(10) and R33(11). In the crystal structure, centrosymmetric π–π interactions between the triazole rings, with a distance of 3.691 (2) Å between the ring centroids, also affect the packing of the molecules. 相似文献
14.
Christopher Glidewell John N. Low Janet M. S. Skakle James L. Wardell 《Acta Crystallographica. Section C, Structural Chemistry》2003,59(4):o207-o209
Borohydride reduction of N‐(4‐nitrobenzylidene)‐4‐iodoaniline has yielded the title compound, 1,2‐bis[4‐(4‐iodophenylaminomethyl)phenyl]diazene 1‐oxide, C26H22I2N4O. The molecules lie across centres of inversion in P21/c, with the azoxy O atom disordered over two sites, each having an occupancy of 0.5. The molecules are linked into sheets by a combination of C—H⃛O and C—H⃛π(arene) hydrogen bonds. 相似文献
15.
Anthony Linden Cihat afak Frat Aydn 《Acta Crystallographica. Section C, Structural Chemistry》2004,60(10):o711-o713
The title compound, C20H21ClN2O5, has potential calcium modulatory properties. The 1,4‐dihydropyridine ring has the usual shallow boat conformation. The 2‐chloro‐5‐nitrophenyl ring is oriented such that the chloro substituent is in a synperiplanar orientation with respect to the 1,4‐dihydropyridine ring plane, while the nitro substituent sits over the 1,4‐dihydropyridine ring. The cyclohexenone ring has a conformation that is approximately half‐way between that of an envelope and that of a half‐chair. The molecules are linked into chains by intermolecular N—H⋯O hydrogen bonds. 相似文献
16.
G. Y. S. K. Swamy K. Ravikumar B. Sridhar I. Mahender K. V. N. S. Srinivas 《Acta Crystallographica. Section C, Structural Chemistry》2006,62(8):o495-o497
The title compound [systematic name: 5‐hydroxy‐2‐(3‐hydroxy‐4,5‐dimethoxyphenyl)‐3,6,7‐trimethoxy‐4H‐chromen‐4‐one], C20H20O9, was isolated from the seeds of Cleom viscosa Linn. Two independent molecules (A and B) are present in the asymmetric unit with almost similar conformations. The dihedral angles between the fused chromene ring system and the benzene ring bonded to it in molecules A and B are 4.2 (1) and 12.7 (1)°, respectively. The hydroxy O atoms are involved in intramolecular hydrogen bonding. The molecules are linked by C—H⋯O and O—H⋯O interactions into chains of edge‐fused R33(22) rings. Aromatic π–π and weak C—H⋯π(arene) interactions are also observed. 相似文献
17.
trans‐Diaquabis(5‐carboxy‐1H‐imidazole‐4‐carboxylato‐κ2N3,O4)cobalt(II) 4,4′‐bipyridine solvate
Rong Cao Yu‐Ling Wang Wen‐Hua Bi 《Acta Crystallographica. Section C, Structural Chemistry》2004,60(12):m609-m611
In the title compound, [Co(C5H3N2O4)2(H2O)2]·C10H8N2, the Co atom is trans‐coordinated by two pairs of N and O atoms from two monoanionic 4,5‐dicarboxyimidazole ligands, and by two O atoms from two coordinated water molecules, in a distorted octahedral geometry. The 4,4′‐bipyridine solvent molecule is not involved in coordination but is linked by an N—H⋯N hydrogen bond to the neutral [Co(C5H3N2O4)2(H2O)2] molecule. Both molecules are located on inversion centers. The crystal packing is stabilized by N—H⋯N and O—H⋯O hydrogen bonds, which produce a three‐dimensional hydrogen‐bonded network. Offset π–π stacking interactions between the pyridine rings of adjacent 4,4′‐bipyridine molecules were observed, with a face‐to‐face distance of 3.345 (1) Å. 相似文献
18.
John N. Low Justo Cobo Silvia Cruz Jairo Quiroga Christopher Glidewell 《Acta Crystallographica. Section C, Structural Chemistry》2004,60(3):o191-o193
Molecules of the title compound, C15H21N3O3S, have a markedly polarized electronic structure; the carbocyclic ring adopts an envelope conformation and the overall molecular conformation appears to be controlled by two intramolecular hydrogen bonds, one each of the O—H⋯O and N—H⋯O types. The molecules are linked into C(6) chains by an intermolecular N—H⋯O hydrogen bond, and pairs of these hydrogen‐bonded chains are linked by a π–π stacking interaction. 相似文献
19.
Katharine F. Bowes George Ferguson Christopher Glidewell Alan J. Lough 《Acta Crystallographica. Section C, Structural Chemistry》2002,58(8):o467-o469
The title compound is a hydrated salt, 1,4‐diazoniabicyclo[2.2.2]octane–N‐[(hydroxyphosphinato)methyl]iminiodiacetate–water (1/1/1.5), C6H14N22+·C5H8NO7P2?·1.5H2O, in which one of the water molecules lies across a twofold rotation axis in space group P2/n. The ionic components are linked into sheets by a combination of a three‐centre N—H?(O)2 hydrogen bond and two‐centre O—H?O and N—H?O hydrogen bonds, and these sheets are pairwise linked by the water molecules into bilayers, by means of further O—H?O hydrogen bonds. 相似文献
20.
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