- #Terminations in crystalmaker for mac
- #Terminations in crystalmaker software
- #Terminations in crystalmaker license
- #Terminations in crystalmaker windows
The two crystallographically independent molecules of the nitro-substituted compound have dihedral angles of 0.18 (3) and 1.07 (2)°, while this angle is 4.93 (2)° for the dimeric complex. The five 2,3-dimethylquinoxaline structures have a range of the dihedral angle between a best-fit plane through the six-membered carbon ring and a best-fit plane through the six-membered nitrogen heterocycle of 0.02 (5)–1.59 (7)°.
The dimeric version has also been characterized crystallographically, 2,2′,3,3′-tetramethyl-6,6′-biquinoxaline, in which a single bond between the two six-membered carbon rings links a pair of 2,3-dimethylquinoxaline molecules (Salvatore et al., 2006 ▸). A related compound, 2,3-dimethyl-6-nitroquinoxaline, has been reported (Ghalib et al., 2010 ▸) in which there is a nitro group bonded to the six-membered carbon ring of the quinoxaline. There are five reported crystal structures of 2,3-dimethylquinoxaline the unsolvated species (Wozniak et al., 1993 ▸), the dimethylglyoxime co-crystal (Hökelek et al., 2001 ▸ Radhakrishnan et al., 2007 ▸), the 2,6-dihydroxytoluene co-crystal, and the 2,6-dihydroxytoluene/4-dimethylaminopyridine co-crystal (Mir et al., 2015 ▸). It appears the methyl groups on the quinoxaline prevent the layers from coming closer together.Ī search of the Cambridge Crystal Database (Groom & Allen, 2014 ▸) returns zero results for 2,3-dimethylquinoxalin-6-yl groups attached to a phenyl ring. The centroid(C7–N1–C8–C9–N2–C10)⋯centroid(C7–N1–C8–C9–N2–C10) distance between the layers of 4.721 (3)Å is too long to be considered another π–π interaction. The distance between the centroid of C7 ii–N1 ii–C8 ii–C9 ii–N2 ii–C10 ii ring and C3 is 3.311 (3)Å. The dihedral angle between a best fit plane through the C1–C2–C3–C4–C3 i–C2 i ring and a best-fit plane through the C7 ii–N1 ii–C8 ii–C9 ii–N2 ii–C10 ii ring is 41.70 (11)°. The orientation of these interacting groups is between ‘parallel offset’ and ‘perpendicular t-shaped’ as the C3-H3 A bond points towards the C7 ii–N1 ii–C8 ii–C9 ii–N2 ii–C10 ii ring centroid. The interactions occur between the central benzene ring and one of the heterocycles on a neighboring molecule. The two-dimensional layers lie parallel to the ab-plane and stack along the c axis, Fig. 2 ▸ c. The molecules of (I) form extended layers via intermolecular π–π interactions linking each molecule to its four nearest neighbors, Fig. 2 ▸ a, b. Similarly, the two methyl groups are not quite coplanar with a C13-C8-C9-C14 torsion angle of 3.5 (2)°. The methyl groups also lie slightly out of the plane of the C7–N1–C8–C9–N2–C10 ring. The two six-membered rings of the 2,3-dimethylquinoxalin-6-yl group deviate from planarity as well the dihedral angle between a best fit plane through the C5–C6–C7–C10–C11–C12 ring and a best fit plane through the C7–N1–C8–C9–N2–C10 ring is 3.8 (15)°. The 2,3-dimethylquinoxalin-6-yl group is twisted significantly out of the plane of the central phenyl ring as evidenced by the C1-C2-C5-C6 torsion angle of −39.8 (2)°. The C1 and C4 carbon atoms of the central phenyl ring each occupy special positions (, y, ) and thus one-half of the molecule is generated by the symmetry operation (− x + 1, y, − z + ).
#Terminations in crystalmaker license
You will need the license codes in the file named CrystalMaker_License.txt in the parent folder of the Mac and Win folders specified above.The molecular structure of (I) (Fig. 1 ▸) consists of a central phenyl ring with 2,3-dimethylquinoxalin-6-yl groups at the 1 and 3 positions. courses->software->CrystalMaker->Mac, if you have already have the ThayerFS shortcuts.smb://thayerfs/courses/software/CrystalMaker/Mac using the "Finder->Go->Connect To Server." command, or.
#Terminations in crystalmaker for mac
Crystal Maker for Mac on Google Drive (signed in with your NetID).P:\software\CrystalMaker\Win (if you have used the mapthayerfs.vbs utility).
#Terminations in crystalmaker windows
CrystalMaker for Windows on Google Drive (signed in with your NetID).
#Terminations in crystalmaker software
If you become reliant on this software, please let us know so we can endeavor to avoid outages, the software will actually cease working when the annual license expires. Thayer School has purchased a departmental site license (all applications, all users, all purposes) for all these applications which will need to be renewed each year, at which time we will evaluate whether we should renew this annual license or not. CrystalMaker provides a collection of applications for exploring crystal lattices and their diffractions.
0 kommentar(er)
