A single crystal of energetic compound 4-amino-1,2,4-triazolium picrate(4-ATPA) was cultured from methanol solvent at 25 ℃.The compound crystallized in the orthorhombic system,is space group Pcnb with a=9.177(4),b=13.279(6),c=19.855(6) ,V=2419.5(16) 3,Dc=1.720 g·cm-3,Z=8,μ(MoKα)=0.152 mm-1 and F(000)=1280.Of the 2580 total reflections,2194 were unique(Rint=0.0048).The final R=0.0588 and wR=0.1370 for 2194 observed reflections with I2σ(I).Single X-ray diffraction reveals that the structure is composed of 4-amino-1,2,4-triazolium cation and picric anion.

The title compound, C(18)H(18)N(3)O(+)·PF(6) (-), is a chiral bicyclic 1,2,4-triazolium salt which contains four rings, viz. a triazolium, a morpholine and two phenyl rings. Analysis of bond lengths shows that the N-CH-N group in the triazolium ring conforms to a typical three-center/four-electron bond (also known as the Pimentel-Rundle three-center model). The structure is completed by a disordered PF(6) (-) counter-ion [occupancies of F atoms 0.678 (8):0.322 (8)], which inter-acts with the main mol-ecule through weak inter-molecular P-F⋯π inter-actions.

In the title compound, C12H10N4 center dot C8H6O4, 1,4-bis(imidazol-1-yl) benzene and terephthalic acid molecules are joined via strong O-H center dot center dot center dot N hydrogen bonds to form infinite zigzag chains. Both molecules are located on crystallographic inversion centers. The O-H center dot center dot center dot N hydrogen-bonded chains are assembled into two-dimensional layers through weak CH center dot center dot center dot O and strong pi-pi stacking interactions [centroid-centroid distance = 3.818 (2) angstrom], leading to the formation of a three-dimensional supramolecular structure.

The title compound, C11H19NO6, is an important intermediate for the synthesis of cephalosporin derivatives. The N atom is in a planar configuration. In the crystal, molecules are linked into zigzag layers parallel to (100) by O—H...O hydrogen bonds.

The title compound, C(11)H(19)NO(6), is an important inter-mediate for the synthesis of cephalosporin derivatives. The N atom is in a planar configuration. In the crystal, mol-ecules are linked into zigzag layers parallel to (100) by O-H⋯O hydrogen bonds.

A novel metal-organic framework with one-dimensional channels {[Cd(3)(CH3COO)(2)(H2O)(2)] (CH3CN)(x)(CH3OH)(y)} (5), based on conformationally restricted linear 4,4'-bis(1-imidazolyl)biphenyl (3) and cadmium acetate dihydrate, has been synthesized. It crystallizes in the triclinic system, space group P (1) over bar with a = 5.6528(11) angstrom, b = 9.887(3) angstrom, c = 12.924(3) angstrom, and Z = 1. The experimental results demonstrate that coordinated crystal water molecules may play a key role in the formation of the metal-organic frameworks.

The title compound [systematic name: (2S*,3S*,4R*,5R*,9S*,11S*,15R*)-5,15-diacetoxy-3-nicotinoyloxy-14-oxolathyra-6(17),12(E)-diene], C30H37NO7, was isolated from the seeds of Euphorbia lathyris. The tricyclic diterpenoid molecule contains an 11-membered ring, a five-membered ring exhibiting an envelope conformation and a three-membered ring. The 11-membered ring is cis-fused with the three-membered ring and trans-fused with the five-membered ring.

α-Hydrazinium nitrate(HN)with high purity was synthesized by neutralizing hydrazine and hydrazine dinitrate,and its crystallogram were obtained by X-ray powder diffraction.Results show that the average crystal size of HN is 185.3 nm,and the cell unit is in good order in the crystal,and the density is 1.688 g·cm-3.The crystal parameters of HN are as following: monoclinic,P 21/n,a=0.8015 nm,b=0.5725 nm,c=0.8156 nm,β=92.3,V =0.374 nm3,Dc=1.688 g·cm-3,Z=4.

In the title compound, C20H19N2 +·PF6 −, the two benzocyclobutene units are essentially planar and they form dihedral angles of 38.0 (2) and 72.7 (2)°, with the central imidazolium ring. In the crystal structure, weak C—H⋯π and π-–π stacking interactions [centroid–centroid distance = 3.742 (2) Å] contribute to the stability of the crystal structure. The PF6 − ion is disordered over two positions with site occupancies of 0.869 (9) and 0.131 (9).

[Pb(DNI)2(H2O)4] was prepared by mixing the aqueous solution of sodium 2,4-dinitroimidazolate and lead nitrate.The single crystal structure of [Pb(DNI)2(H2O)4] has been determined by single crystal diffraction analysis.The crystal monoclinic space group Cc with crystal parameters of a=6.517(3)×10-1 nm,b=17.131(6) ×10-1 nm,c=14.082(7)×10-1 nm,α= 90.00(3) °,β=97.80(4)°,γ=90.00(4) °,V=1 557.5(12)×10-3 nm3,Z=4,Dc=2.531 g/cm-3,μ=11.001 mm-1,F(000)=1 120.The final deviation factor R is 0.022 6.According to the IR spectra analysis,the element analysis and the X-ray diffraction analysis,the chemical component of the 2,4-DNI lead complex is C6H10O12N8Pb and its formula is [Pb(DNI)2(H2O)4].

In the title compound, C(16)H(17)FN(2)O(4)·H(2)O, the dihedral angle between the heterocyclic ring and the benzene ring is 5.77 (9)°, that between the heterocycle and the ethoxy-carbonyl plane is 15.5 (1)°, and that between the heterocyclic ring and the cyclopropane ring is 67.75 (13)°. In the crystal structure, mol-ecules are linked into a ribbon-like structure along the c axis by N-H⋯O and O-H⋯O hydrogen bonds.

The title compound, C21H23NO7S, is an important intermediate in the synthesis of poly(amidoamine) dendrimers. The cyclohexane ring adopts a chair conformation. The dihedral angle between the two aromatic rings is 69.5 (2)°. The molecules are linked into a zigzag chain along the b axis by C—H⋯O hydrogen bonds.

The title compound, C(9)H(9)N(3)O(6), was synthesized by the condensation of methyl 3,5-dinitro-benzoate and 2-amino-ethanol. The non-centrosymmetric space group results in the formation of pseudo-chiral helices in the crystal structure, which exhibits a layer packing structure involving intra-molecular N-H⋯O and O-H⋯O inter-actions.

The title compound, C 14 H 15 ClN 4 O 2+ ·C 2 O 4 2− , was obtained as a 1:1 binary ionic compound. Two cations and two anions are connected via ionic N—H...O hydrogen bonds to form an annulus with internal dimensions of about 8.5 × 9.5 Å, and these units are connected through O—H...O hydrogen bonds to form a two-dimensional porous layer. Weak C—H...π and C—Cl...π [Cl...centroid = 3.575 (2) and 3.598 (2) Å] interactions, together with strong π–π stacking interactions [centroid-to-centroid distance = 3.429 (3) Å], contribute to the stability of the structure.

Multifunctional diimidazole, 2,6-bis[(imidazol-1-yl)methyl]-4-methylphenol (BIP), was crystallized with different dicarboxylic acids, such as oxalic acid (OA), isophthalic acid (IPA), and terephthalic acid (TPA), affording crystals of (BIP2+)center dot(OA(2-)) (1), (BIP)center dot(IPA) (2), (BIP)center dot(TPA) (3), and (BIP)center dot(TPA)(0.5) (4). X-ray single-crystal diffraction studies reveal that all four organic crystals contain strong classical hydrogen bonds (such as O-H center dot center dot center dot N, O-H center dot center dot center dot O, etc.), which are usually observed in organic cocrystals of carboxylic acids with heterocyclic bases. Besides, weak C-H center dot center dot center dot O hydrogen bonds and X center dot center dot center dot pi (X = pi, CH) interactions contribute to the formation of three-dimensional (3-D) networks for these crystals. Interesting annulus with internal dimensions of cavity (about 8.5 angstrom x 9.5 angstrom) are demonstrated in crystal 1, and these annuluses are connected through O-H center dot center dot center dot O hydrogen bonds to form a 2-D porous layer. Because of the coexistence of O-H center dot center dot center dot N and O-H center dot center dot center dot O hydrogen bonds between BIP and aromatic carboxylic acids, compounds 2 and 3 exhibit double-chain structures. Interestingly, while the molar ratio of BIP to TPA is 2:1 in crystal 4, an unusual single-double-chain structure is generated, which is obviously different from the double-chain structure of 3.

In the crystal structure of the title macrocyclic diterpenoid [systematic name: (2S*,3S*,4R*,5R*,7R*,9S*,11S*,15R*)-5,15-diacet­oxy-14-oxolathyra-6(17),12(E)-diene-3,7-diyl di­ben­z­oate], C38H42O9, the mol­ecule exhibits the tricyclic terpenoid skeleton of lathyrane, consisting of fused five-, 11- and three-membered rings. The five-membered ring adopts an envelope conformation. Intra- and inter­molecular weak C—H⋯O hydrogen bonding helps to stabilize the crystal structure.

通过2,4-二硝基咪唑（2,4-DNI）钠盐的水溶液与硫酸铜的水溶液反应,制备出2,4-二硝基咪唑铜配合物;采用自然挥发法培养出了适于X光结构测定的单晶,X射线衍射测定结果显示,晶体属三斜晶系,空间群为P-1,晶体学参数为:a=7.2560（10）×10-1nm,b=7.762（2）×10-1nm,c=16.685（3）×10-1nm,α=87.13（3）°,β=83.81（3）°,γ=62.25（3）°,V=826.8（3）×10-3nm3,Z=2,Dc=1.871 g.cm-3,μ=1.411 mm-1,F（000）=470,最终偏离因子R为0.0388。根据红外光谱、元素分析和X射线衍射分析结果,确定2,4-二硝基咪唑铜配合物的化学组成为C6H10CuN8O13;分子结构式为[Cu（DNI）2（H2O）2].3H2O。

An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.