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71.
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
72.
Braulio Insuasty Yupanqui Caldfas Justo Cobo Christopher Glidewell 《Acta Crystallographica. Section C, Structural Chemistry》2009,65(9):o483-o486
The molecules of the title compound, C20H23N3O6, are almost completely planar, apart from the H atoms bonded to tetrahedral C atoms. A combination of five hydrogen bonds, one of the N—H...O type and two each of the C—H...O and C—H...π(arene) types, links the molecules into complex sheets. 相似文献
73.
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
74.
Juan C. Castillo Rodrigo Abonía Justo Cobo Christopher Glidewell 《Acta Crystallographica. Section C, Structural Chemistry》2009,65(6):o303-o310
5‐Benzylamino‐3‐tert‐butyl‐1‐phenyl‐1H‐pyrazole, C20H23N3, (I), and its 5‐[4‐(trifluoromethyl)benzyl]‐, C21H22F3N3, (III), and 5‐(4‐bromobenzyl)‐, C20H22BrN3, (V), analogues, are isomorphous in the space group C2/c, but not strictly isostructural; molecules of (I) form hydrogen‐bonded chains, while those of (III) and (V) form hydrogen‐bonded sheets, albeit with slightly different architectures. Molecules of 3‐tert‐butyl‐5‐(4‐methylbenzylamino)‐1‐phenyl‐1H‐pyrazole, C21H25N3, (II), are linked into hydrogen‐bonded dimers by a combination of N—H...π(arene) and C—H...π(arene) hydrogen bonds, while those of 3‐tert‐butyl‐5‐(4‐chlorobenzylamino)‐1‐phenyl‐1H‐pyrazole, C20H22ClN3, (IV), form hydrogen‐bonded chains of rings which are themselves linked into sheets by an aromatic π–π stacking interaction. Simple hydrogen‐bonded chains built from a single N—H...O hydrogen bond are formed in 3‐tert‐butyl‐5‐(4‐nitrobenzylamino)‐1‐phenyl‐1H‐pyrazole, C20H22N4O2, (VI), while in 3‐tert‐butyl‐5‐(3,4,5‐trimethoxybenzylamino)‐1‐phenyl‐1H‐pyrazole, C23H29N3O3, (VII), which crystallizes with Z′ = 2 in the space group P, pairs of molecules are linked into two independent centrosymmetric dimers, one generated by a three‐centre N—H...(O)2 hydrogen bond and the other by a two‐centre N—H...O hydrogen bond. 相似文献
75.
Jairo Quiroga Yurina Díaz Justo Cobo Christopher Glidewell 《Acta Crystallographica. Section C, Structural Chemistry》2012,68(1):o12-o18
Six closely related pyrazolo[3,4‐b]pyridine derivatives, namely 6‐chloro‐3‐methyl‐1,4‐diphenylpyrazolo[3,4‐b]pyridine‐5‐carbaldehyde, C20H14ClN3O, (I), 6‐chloro‐3‐methyl‐4‐(4‐methylphenyl)‐1‐phenylpyrazolo[3,4‐b]pyridine‐5‐carbaldehyde, C21H16ClN3O, (II), 6‐chloro‐4‐(4‐chlorophenyl)‐3‐methyl‐1‐phenylpyrazolo[3,4‐b]pyridine‐5‐carbaldehyde, C20H13Cl2N3O, (III), 4‐(4‐bromophenyl)‐6‐chloro‐3‐methyl‐1‐phenylpyrazolo[3,4‐b]pyridine‐5‐carbaldehyde, C20H13BrClN3O, (IV), 6‐chloro‐4‐(4‐methoxyphenyl)‐3‐methyl‐1‐phenylpyrazolo[3,4‐b]pyridine‐5‐carbaldehyde, C21H16ClN3O2, (V), and 6‐chloro‐3‐methyl‐4‐(4‐nitrophenyl)‐1‐phenylpyrazolo[3,4‐b]pyridine‐5‐carbaldehyde, C20H13ClN4O3, (VI), which differ only in the identity of a single small substituent on one of the aryl rings, crystallize in four different space groups spanning three crystal systems. The molecules of (I) are linked into a chain of rings by a combination of C—H...N and C—H...π(arene) hydrogen bonds; those of (II), (IV) and (V), which all crystallize in the space group P, are each linked by two independent C—H...O hydrogen bonds to form chains of edge‐fused rings running in different directions through the three unit cells; the molecules of (III) are linked into complex sheets by a combination of two C—H...O hydrogen bonds and one C—H...π(arene) hydrogen bond; finally, the molecules of (VI) are linked by a single C—H...O hydrogen bond to form a simple chain. 相似文献
76.
Dorcas M. M. Farrell George Ferguson Alan J. Lough Christopher Glidewell 《Acta Crystallographica. Section C, Structural Chemistry》2001,57(8):955-957
In the title compound, C4H12N22+·2C8H7O3?·2CH4O, the cations lie across centres of inversion and are disordered over two orientations with equal occupancy; there are equal numbers of (R)‐ and (S)‐mandelate anions present (mandelate is α‐hydroxybenzeneacetate). The anions and the neutral water molecules are linked by O—H?O hydrogen bonds [O?O 2.658 (3) and 2.682 (3) Å, and O—H?O 176 and 166°] into deeply folded zigzag chains. Each orientation of the cation forms two symmetry‐related two‐centre N—H?O hydrogen bonds [N?O 2.588 (4) and 2.678 (4) Å, and N—H?O 177 and 171°] and two asymmetric, but planar, three‐centre N—H?(O)2 hydrogen bonds [N?O 2.686 (4)–3.137 (4) Å and N—H?O 137–147°], and by means of these the cations link the anion/water chains into bilayers. 相似文献
77.
Choudhury M. Zakaria George Ferguson Alan J. Lough Christopher Glidewell 《Acta Crystallographica. Section C, Structural Chemistry》2001,57(8):914-917
In ferrocene‐1,1′‐diylbis(diphenylmethanol)–4,4′‐ethylenedipyridine (1/1), [Fe(C18H15O)2]·C12H12N2, there is an intramolecular O—H?O hydrogen bond in the ferrocenediol component and a single O—H?N hydrogen bond linking the two components into a finite monomeric adduct. Ferrocene‐1,1′‐diylbis(diphenylmethanol)–ethylenediamine (1/1), [Fe(C18H15O)2]·C2H8N2, crystallizes with Z′ = 2 in space group P, and there are two independent four‐component aggregates in the structure, both of which are centrosymmetric. In the first type of aggregate, the molecular components are linked by O—H?N and N—H?O hydrogen bonds, in which both diamine N atoms participate; in the second type of aggregate, the diamine component is disordered over two sets of sites, but only one N atom is involved in the hydrogen bonding. 相似文献
78.
Rafael Cuesta Paloma Arranz‐Mascars John N. Low Christopher Glidewell 《Acta Crystallographica. Section C, Structural Chemistry》2001,57(8):918-921
In the title compound, [Na(C5H5N4O3)]·2H2O, each Na cation is linked to three C5H4N4O3? anions and two water molecules, forming approximately octahedral NaNO5 units; the cations and the anions form molecular ladders, and each ladder is linked to four neighbouring ladders by O—H?O and O—H?N hydrogen bonds. 相似文献
79.
80.
Lynay Santacruz Rodrigo Abonia Justo Cobo John N. Low Christopher Glidewell 《Acta Crystallographica. Section C, Structural Chemistry》2007,63(10):o585-o587
In the title compound, C8H12N+·C4H3O4−, there is a short and almost linear but asymmetric O—H...O hydrogen bond in the anion. The ions are linked into C22(6) chains by two short and nearly linear N—H...O hydrogen bonds and the chains are further weakly linked into sheets by a single C—H...O hydrogen bond. 相似文献