3,5-Dimethyl-1-(4-nitro­phen­yl)-4-[(E)-(2,3,4,5,6-penta­fluoro­phen­yl)diazen­yl]-1H-pyrazole

Bustos, C.; Sánchez, C.; Schott, E.; Alvarez-Thon, L.; Fuentealba, M.

doi:10.1107/S160053680605464X

Buy article online - an online subscription or single-article purchase is required to access this article.

3,5-Dimethyl-1-(4-nitrophenyl)-4-[(E)-(2,3,4,5,6-pentafluorophenyl)diazenyl]-1H-pyrazole

C. Bustos, C. Sánchez, E. Schott, L. Alvarez-Thon and M. Fuentealba

In the title molecule, C₁₇H₁₀F₅N₅O₂, all bond lengths and angles show normal values. Weak intermolecular C—H

O hydrogen bonds and π–π stacking interactions stabilize the crystal packing.

Read article Similar articles

Supporting information

	Crystallographic Information File (CIF) https://doi.org/10.1107/S160053680605464X/cv2167sup1.cif Contains datablocks global, I
	Structure factor file (CIF format) https://doi.org/10.1107/S160053680605464X/cv2167Isup2.hkl Contains datablock I

CCDC reference: 640305

checkCIF report

Key indicators

Single-crystal X-ray study
T = 298 K
Mean (C-C) = 0.004 Å
R factor = 0.061
wR factor = 0.150
Data-to-parameter ratio = 14.3

checkCIF/PLATON results

No syntax errors found



Alert level C
PLAT242_ALERT_2_C Check Low       Ueq as Compared to Neighbors for         N5
PLAT480_ALERT_4_C Long H...A H-Bond Reported H16C   ..  F4      ..       2.66 Ang.
PLAT480_ALERT_4_C Long H...A H-Bond Reported H15    ..  F2      ..       2.74 Ang.

   0 ALERT level A = In general: serious problem
   0 ALERT level B = Potentially serious problem
   3 ALERT level C = Check and explain
   0 ALERT level G = General alerts; check

   0 ALERT type 1 CIF construction/syntax error, inconsistent or missing data
   1 ALERT type 2 Indicator that the structure model may be wrong or deficient
   0 ALERT type 3 Indicator that the structure quality may be low
   2 ALERT type 4 Improvement, methodology, query or suggestion
   0 ALERT type 5 Informative message, check

Computing details top

Data collection: SMART (Bruker, 2001); cell refinement: SAINT (Bruker, 2000); data reduction: SAINT (Bruker, 2000); program(s) used to solve structure: SHELXS97 (Sheldrick, 1997); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997); molecular graphics: XP in SHELXTL-PC (Sheldrick, 1994); software used to prepare material for publication: PLATON (Spek, 2003) and Mercury (Bruno et al., 2002).

3,5-Dimethyl-1-(4-nitrophenyl)-4-[(E)-(2,3,4,5,6-pentafluorophenyl)diazenyl]- 1H-pyrazole top

Crystal data top

C₁₇H₁₀F₅N₅O₂	F(000) = 832
M_r = 411.30	D_x = 1.594 Mg m⁻³
Monoclinic, P2₁/c	Mo Kα radiation, λ = 0.71073 Å
Hall symbol: -P 2ybc	Cell parameters from 999 reflections
a = 5.9868 (16) Å	θ = 1.7–27.9°
b = 15.073 (4) Å	µ = 0.15 mm⁻¹
c = 19.010 (5) Å	T = 298 K
β = 92.557 (4)°	Block, orange
V = 1713.7 (8) Å³	0.36 × 0.19 × 0.18 mm
Z = 4

Data collection top

Bruker CCD area-detector diffractometer	R_int = 0.069
φ and ω scans	θ_max = 27.9°, θ_min = 1.7°
11887 measured reflections	h = −7→7
3777 independent reflections	k = −18→19
1999 reflections with I > 2σ(I)	l = −24→24

Refinement top

Refinement on F²	Primary atom site location: structure-invariant direct methods
Least-squares matrix: full	Secondary atom site location: difference Fourier map
R[F² > 2σ(F²)] = 0.061	Hydrogen site location: inferred from neighbouring sites
wR(F²) = 0.150	H-atom parameters constrained
S = 0.98	w = 1/[σ²(F_o²) + (0.0618P)²] where P = (F_o² + 2F_c²)/3
3777 reflections	(Δ/σ)_max = 0.002
264 parameters	Δρ_max = 0.20 e Å⁻³
0 restraints	Δρ_min = −0.21 e Å⁻³

Special details top

Geometry. Bond distances, angles etc. have been calculated using the rounded fractional coordinates. All su's are estimated from the variances of the (full) variance-covariance matrix. The cell e.s.d.'s are taken into account in the estimation of distances, angles and torsion angles

Refinement. Refinement on F² for ALL reflections except those flagged by the user for potential systematic errors. Weighted R-factors wR and all goodnesses of fit S are based on F², conventional R-factors R are based on F, with F set to zero for negative F². The observed criterion of F² > σ(F²) is used only for calculating -R-factor-obs etc. and is not relevant to the choice of reflections for refinement. R-factors based on F² are statistically about twice as large as those based on F, and R-factors based on ALL data will be even larger.

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å²) top

	x	y	z	U_iso*/U_eq
F1	0.1643 (3)	0.71657 (11)	0.10809 (9)	0.0597 (6)
F2	0.0745 (3)	0.70454 (14)	−0.03046 (9)	0.0767 (8)
F3	0.3745 (4)	0.62747 (14)	−0.11379 (9)	0.0893 (9)
F4	0.7570 (3)	0.55895 (13)	−0.05658 (10)	0.0789 (8)
F5	0.8415 (3)	0.56571 (12)	0.08264 (10)	0.0664 (7)
O1	0.1088 (5)	0.5404 (2)	0.67421 (14)	0.1125 (14)
O2	0.4056 (5)	0.5961 (2)	0.72094 (13)	0.1023 (13)
N1	0.5530 (4)	0.64919 (15)	0.17185 (11)	0.0446 (8)
N2	0.7340 (4)	0.70165 (16)	0.19368 (11)	0.0473 (8)
N3	0.4808 (4)	0.62588 (16)	0.35154 (12)	0.0501 (9)
N4	0.5964 (4)	0.65594 (16)	0.40305 (12)	0.0490 (9)
N5	0.2895 (6)	0.5750 (2)	0.67027 (15)	0.0712 (11)
C1	0.5035 (5)	0.64124 (18)	0.09889 (13)	0.0400 (9)
C2	0.3100 (5)	0.67557 (19)	0.06816 (15)	0.0443 (10)
C3	0.2647 (5)	0.6702 (2)	−0.00241 (15)	0.0512 (11)
C4	0.4163 (6)	0.6322 (2)	−0.04485 (15)	0.0545 (11)
C5	0.6094 (5)	0.5982 (2)	−0.01600 (15)	0.0517 (11)
C6	0.6531 (5)	0.60217 (19)	0.05563 (15)	0.0462 (10)
C7	0.4408 (5)	0.61697 (19)	0.22597 (14)	0.0430 (10)
C8	0.5538 (5)	0.64837 (19)	0.28557 (14)	0.0439 (10)
C9	0.7336 (5)	0.7005 (2)	0.26259 (14)	0.0469 (10)
C10	0.5110 (5)	0.63118 (18)	0.46892 (14)	0.0427 (10)
C11	0.3031 (5)	0.59359 (19)	0.47665 (15)	0.0494 (11)
C12	0.2325 (5)	0.5735 (2)	0.54273 (16)	0.0527 (11)
C13	0.3709 (5)	0.59210 (19)	0.60019 (14)	0.0473 (10)
C14	0.5780 (5)	0.62854 (19)	0.59387 (14)	0.0505 (11)
C15	0.6473 (5)	0.64830 (19)	0.52767 (14)	0.0476 (10)
C16	0.2455 (5)	0.5580 (2)	0.21778 (15)	0.0608 (11)
C17	0.9066 (6)	0.7508 (2)	0.30423 (16)	0.0735 (14)
H11	0.21070	0.58180	0.43710	0.0590*
H12	0.09330	0.54770	0.54830	0.0630*
H14	0.67030	0.63970	0.63350	0.0610*
H15	0.78740	0.67350	0.52250	0.0570*
H16A	0.11840	0.59150	0.20030	0.0910*
H16B	0.21410	0.53260	0.26260	0.0910*
H16C	0.27660	0.51150	0.18510	0.0910*
H17A	0.99480	0.71050	0.33300	0.1100*
H17B	0.83550	0.79300	0.33380	0.1100*
H17C	1.00140	0.78150	0.27290	0.1100*

Atomic displacement parameters (Å²) top

	U¹¹	U²²	U³³	U¹²	U¹³	U²³
F1	0.0530 (10)	0.0642 (12)	0.0625 (11)	0.0046 (9)	0.0098 (9)	0.0015 (9)
F2	0.0716 (13)	0.0868 (15)	0.0690 (13)	−0.0044 (11)	−0.0272 (10)	0.0166 (11)
F3	0.1200 (18)	0.1107 (17)	0.0359 (11)	−0.0247 (14)	−0.0096 (10)	−0.0033 (11)
F4	0.0915 (14)	0.0862 (15)	0.0611 (12)	−0.0091 (12)	0.0267 (10)	−0.0260 (11)
F5	0.0524 (11)	0.0732 (13)	0.0732 (12)	0.0098 (9)	−0.0001 (9)	−0.0065 (10)
O1	0.099 (2)	0.166 (3)	0.0753 (19)	−0.024 (2)	0.0351 (17)	0.0281 (19)
O2	0.124 (2)	0.147 (3)	0.0361 (14)	−0.004 (2)	0.0046 (15)	0.0021 (16)
N1	0.0475 (14)	0.0540 (16)	0.0322 (13)	−0.0088 (12)	0.0014 (10)	0.0014 (11)
N2	0.0455 (14)	0.0580 (16)	0.0379 (14)	−0.0122 (12)	−0.0020 (10)	−0.0030 (12)
N3	0.0587 (15)	0.0535 (16)	0.0381 (14)	0.0031 (13)	0.0016 (12)	−0.0003 (12)
N4	0.0572 (15)	0.0544 (16)	0.0354 (14)	−0.0005 (13)	0.0006 (11)	0.0003 (12)
N5	0.090 (2)	0.080 (2)	0.0451 (18)	0.0134 (19)	0.0188 (17)	0.0115 (16)
C1	0.0431 (16)	0.0440 (18)	0.0327 (15)	−0.0101 (14)	0.0006 (12)	0.0025 (13)
C2	0.0443 (17)	0.0429 (18)	0.0461 (18)	−0.0071 (14)	0.0077 (14)	0.0050 (14)
C3	0.0522 (19)	0.056 (2)	0.0443 (19)	−0.0125 (16)	−0.0101 (15)	0.0120 (15)
C4	0.075 (2)	0.059 (2)	0.0289 (16)	−0.0173 (18)	−0.0028 (15)	0.0028 (14)
C5	0.065 (2)	0.050 (2)	0.0415 (18)	−0.0120 (16)	0.0166 (16)	−0.0111 (15)
C6	0.0414 (16)	0.052 (2)	0.0455 (18)	−0.0064 (15)	0.0050 (14)	−0.0027 (14)
C7	0.0473 (16)	0.0454 (18)	0.0364 (16)	−0.0045 (14)	0.0038 (13)	0.0050 (13)
C8	0.0504 (17)	0.0492 (18)	0.0321 (15)	0.0024 (14)	0.0021 (13)	0.0022 (13)
C9	0.0493 (17)	0.0505 (19)	0.0404 (18)	−0.0035 (15)	−0.0036 (13)	−0.0017 (14)
C10	0.0530 (18)	0.0371 (17)	0.0381 (16)	0.0063 (14)	0.0041 (13)	0.0018 (13)
C11	0.0547 (19)	0.054 (2)	0.0392 (17)	−0.0039 (15)	−0.0027 (13)	−0.0009 (14)
C12	0.0537 (18)	0.053 (2)	0.0517 (19)	−0.0007 (15)	0.0065 (15)	0.0011 (15)
C13	0.0599 (19)	0.0490 (19)	0.0339 (16)	0.0109 (16)	0.0114 (14)	0.0011 (14)
C14	0.063 (2)	0.0498 (19)	0.0382 (17)	0.0070 (16)	−0.0030 (14)	−0.0035 (14)
C15	0.0506 (17)	0.0489 (19)	0.0435 (18)	0.0033 (15)	0.0029 (14)	−0.0034 (14)
C16	0.065 (2)	0.075 (2)	0.0422 (17)	−0.0197 (18)	0.0018 (15)	0.0039 (16)
C17	0.078 (2)	0.092 (3)	0.0502 (19)	−0.029 (2)	−0.0019 (17)	−0.0084 (19)

Geometric parameters (Å, º) top

F1—C2	1.333 (3)	C7—C8	1.377 (4)
F2—C3	1.340 (4)	C7—C16	1.471 (4)
F3—C4	1.325 (3)	C8—C9	1.417 (4)
F4—C5	1.337 (4)	C9—C17	1.484 (4)
F5—C6	1.337 (3)	C10—C11	1.381 (4)
O1—N5	1.206 (5)	C10—C15	1.378 (4)
O2—N5	1.205 (4)	C11—C12	1.377 (4)
N1—N2	1.390 (3)	C12—C13	1.370 (4)
N1—C1	1.410 (3)	C13—C14	1.366 (4)
N1—C7	1.344 (4)	C14—C15	1.375 (4)
N2—C9	1.310 (3)	C11—H11	0.9300
N3—N4	1.258 (3)	C12—H12	0.9300
N3—C8	1.388 (4)	C14—H14	0.9300
N4—C10	1.423 (4)	C15—H15	0.9300
N5—C13	1.462 (4)	C16—H16A	0.9600
C1—C2	1.375 (4)	C16—H16B	0.9600
C1—C6	1.375 (4)	C16—H16C	0.9600
C2—C3	1.359 (4)	C17—H17A	0.9600
C3—C4	1.367 (4)	C17—H17B	0.9600
C4—C5	1.358 (5)	C17—H17C	0.9600
C5—C6	1.376 (4)

F1···F2	2.671 (3)	C2···C13ⁱⁱ	3.570 (4)
F1···F5ⁱ	3.009 (3)	C3···C11ⁱⁱ	3.591 (4)
F1···N1	2.768 (3)	C3···C15ⁱⁱ	3.597 (4)
F1···N2ⁱ	3.116 (3)	C3···C10ⁱⁱ	3.392 (4)
F1···C7	3.112 (3)	C4···C6^vi	3.562 (4)
F1···C16	3.195 (3)	C5···C6^vi	3.472 (4)
F1···C13ⁱⁱ	3.144 (3)	C5···F2^iv	3.235 (4)
F2···C17ⁱⁱⁱ	3.325 (4)	C5···C5^vi	3.305 (4)
F2···F1	2.671 (3)	C6···C4^vi	3.562 (4)
F2···F3	2.709 (3)	C6···C5^vi	3.472 (4)
F2···F4ⁱ	2.931 (3)	C7···F1	3.112 (3)
F2···C5ⁱ	3.235 (4)	C10···C3^ix	3.392 (4)
F2···C11ⁱⁱ	3.337 (4)	C10···C12^viii	3.458 (4)
F3···F4	2.697 (3)	C11···C3^ix	3.591 (4)
F3···F2	2.709 (3)	C11···F2^ix	3.337 (4)
F4···F2^iv	2.931 (3)	C12···C10^viii	3.458 (4)
F4···F5^v	3.108 (3)	C13···C2^ix	3.570 (4)
F4···F3	2.697 (3)	C13···F1^ix	3.144 (3)
F4···F5	2.674 (3)	C14···N2^ix	3.296 (4)
F5···F4^v	3.108 (3)	C14···C2^ix	3.386 (4)
F5···F4	2.674 (3)	C14···C1^ix	3.501 (4)
F5···N1	2.776 (3)	C15···C1^ix	3.570 (4)
F5···F1^iv	3.009 (3)	C15···C3^ix	3.597 (4)
F5···C2^iv	3.279 (4)	C15···C2^ix	3.443 (4)
F5···N2	3.032 (3)	C16···O1^vii	3.362 (4)
F1···H16A	2.6000	C16···F1	3.195 (3)
F2···H15ⁱⁱⁱ	2.7400	C16···O2^viii	3.301 (4)
F4···H16C^vi	2.6600	C16···C2	3.388 (4)
F5···H16A^iv	2.7500	C17···N4	3.055 (4)
O1···C16^vii	3.362 (4)	C17···F2^x	3.325 (4)
O2···C16^viii	3.301 (4)	C1···H16C	2.9200
O1···H12	2.3900	C2···H16A	3.0800
O1···H16B^vii	2.5700	C12···H15ⁱ	3.0700
O2···H14	2.4400	C15···H12^iv	3.0800
N1···F1	2.768 (3)	H11···N3	2.4400
N1···F5	2.776 (3)	H12···O1	2.3900
N2···F1^iv	3.116 (3)	H12···C15ⁱ	3.0800
N2···F5	3.032 (3)	H12···H12^vii	2.5500
N2···C14ⁱⁱ	3.296 (4)	H14···O2	2.4400
N4···C17	3.055 (4)	H14···N2^ix	2.6700
N2···H16A^iv	2.8400	H15···C12^iv	3.0700
N2···H14ⁱⁱ	2.6700	H15···F2^x	2.7400
N3···H11	2.4400	H16A···F1	2.6000
N3···H16B	2.6700	H16A···F5ⁱ	2.7500
N4···H17A	2.9000	H16A···N2ⁱ	2.8400
N4···H17B	2.8700	H16A···C2	3.0800
C1···C14ⁱⁱ	3.501 (4)	H16B···N3	2.6700
C1···C15ⁱⁱ	3.570 (4)	H16B···O1^vii	2.5700
C2···C14ⁱⁱ	3.386 (4)	H16C···C1	2.9200
C2···F5ⁱ	3.279 (4)	H16C···F4^vi	2.6600
C2···C16	3.388 (4)	H17A···N4	2.9000
C2···C15ⁱⁱ	3.443 (4)	H17B···N4	2.8700

N2—N1—C1	118.0 (2)	N2—C9—C8	110.5 (3)
N2—N1—C7	112.7 (2)	N2—C9—C17	119.6 (3)
C1—N1—C7	129.2 (2)	C8—C9—C17	129.8 (3)
N1—N2—C9	104.8 (2)	N4—C10—C11	124.2 (3)
N4—N3—C8	115.5 (2)	N4—C10—C15	116.2 (3)
N3—N4—C10	112.6 (2)	C11—C10—C15	119.6 (3)
O1—N5—O2	123.5 (3)	C10—C11—C12	120.1 (3)
O1—N5—C13	118.0 (3)	C11—C12—C13	118.9 (3)
O2—N5—C13	118.6 (3)	N5—C13—C12	118.4 (3)
N1—C1—C2	121.5 (3)	N5—C13—C14	119.5 (3)
N1—C1—C6	120.7 (3)	C12—C13—C14	122.1 (3)
C2—C1—C6	117.8 (2)	C13—C14—C15	118.7 (3)
F1—C2—C1	119.5 (2)	C10—C15—C14	120.6 (3)
F1—C2—C3	118.9 (3)	C10—C11—H11	120.00
C1—C2—C3	121.6 (3)	C12—C11—H11	120.00
F2—C3—C2	119.9 (3)	C11—C12—H12	121.00
F2—C3—C4	120.1 (3)	C13—C12—H12	121.00
C2—C3—C4	119.9 (3)	C13—C14—H14	121.00
F3—C4—C3	120.4 (3)	C15—C14—H14	121.00
F3—C4—C5	119.9 (3)	C10—C15—H15	120.00
C3—C4—C5	119.7 (3)	C14—C15—H15	120.00
F4—C5—C4	120.5 (3)	C7—C16—H16A	109.00
F4—C5—C6	119.3 (3)	C7—C16—H16B	109.00
C4—C5—C6	120.3 (3)	C7—C16—H16C	109.00
F5—C6—C1	120.5 (3)	H16A—C16—H16B	109.00
F5—C6—C5	118.8 (3)	H16A—C16—H16C	109.00
C1—C6—C5	120.7 (3)	H16B—C16—H16C	110.00
N1—C7—C8	105.2 (2)	C9—C17—H17A	110.00
N1—C7—C16	124.0 (2)	C9—C17—H17B	109.00
C8—C7—C16	130.8 (3)	C9—C17—H17C	109.00
N3—C8—C7	119.8 (3)	H17A—C17—H17B	109.00
N3—C8—C9	133.5 (3)	H17A—C17—H17C	109.00
C7—C8—C9	106.8 (2)	H17B—C17—H17C	109.00

C1—N1—N2—C9	177.0 (2)	C1—C2—C3—C4	−1.9 (5)
C7—N1—N2—C9	0.7 (3)	F2—C3—C4—F3	−1.3 (5)
N2—N1—C1—C2	−113.4 (3)	F2—C3—C4—C5	179.5 (3)
N2—N1—C1—C6	63.7 (3)	C2—C3—C4—F3	−179.3 (3)
C7—N1—C1—C2	62.2 (4)	C2—C3—C4—C5	1.5 (5)
C7—N1—C1—C6	−120.8 (3)	F3—C4—C5—F4	−0.8 (5)
N2—N1—C7—C8	−0.8 (3)	F3—C4—C5—C6	−179.4 (3)
N2—N1—C7—C16	−178.6 (3)	C3—C4—C5—F4	178.4 (3)
C1—N1—C7—C8	−176.5 (3)	C3—C4—C5—C6	−0.2 (5)
C1—N1—C7—C16	5.7 (5)	F4—C5—C6—F5	−0.7 (4)
N1—N2—C9—C8	−0.3 (3)	F4—C5—C6—C1	−179.3 (3)
N1—N2—C9—C17	−179.8 (3)	C4—C5—C6—F5	178.0 (3)
C8—N3—N4—C10	179.4 (2)	C4—C5—C6—C1	−0.6 (5)
N4—N3—C8—C7	178.6 (3)	N1—C7—C8—N3	−179.3 (2)
N4—N3—C8—C9	−1.2 (5)	N1—C7—C8—C9	0.6 (3)
N3—N4—C10—C11	−11.9 (4)	C16—C7—C8—N3	−1.7 (5)
N3—N4—C10—C15	169.3 (3)	C16—C7—C8—C9	178.1 (3)
O1—N5—C13—C12	4.2 (5)	N3—C8—C9—N2	179.7 (3)
O1—N5—C13—C14	−177.9 (3)	N3—C8—C9—C17	−1.0 (6)
O2—N5—C13—C12	−175.7 (3)	C7—C8—C9—N2	−0.1 (3)
O2—N5—C13—C14	2.2 (5)	C7—C8—C9—C17	179.2 (3)
N1—C1—C2—F1	−0.7 (4)	N4—C10—C11—C12	−178.6 (3)
N1—C1—C2—C3	178.1 (3)	C15—C10—C11—C12	0.1 (4)
C6—C1—C2—F1	−177.8 (3)	N4—C10—C15—C14	178.6 (3)
C6—C1—C2—C3	1.0 (4)	C11—C10—C15—C14	−0.2 (4)
N1—C1—C6—F5	4.5 (4)	C10—C11—C12—C13	0.5 (4)
N1—C1—C6—C5	−176.9 (3)	C11—C12—C13—N5	176.7 (3)
C2—C1—C6—F5	−178.4 (3)	C11—C12—C13—C14	−1.1 (5)
C2—C1—C6—C5	0.2 (4)	N5—C13—C14—C15	−176.8 (3)
F1—C2—C3—F2	−1.1 (4)	C12—C13—C14—C15	1.0 (4)
F1—C2—C3—C4	176.9 (3)	C13—C14—C15—C10	−0.4 (4)
C1—C2—C3—F2	−179.9 (3)

Symmetry codes: (i) x−1, y, z; (ii) x, −y+3/2, z−1/2; (iii) x−1, −y+3/2, z−1/2; (iv) x+1, y, z; (v) −x+2, −y+1, −z; (vi) −x+1, −y+1, −z; (vii) −x, −y+1, −z+1; (viii) −x+1, −y+1, −z+1; (ix) x, −y+3/2, z+1/2; (x) x+1, −y+3/2, z+1/2.

Hydrogen-bond geometry (Å, º) top

D—H···A	D—H	H···A	D···A	D—H···A
C16—H16B···O1^vii	0.96	2.57	3.362 (4)	140
C16—H16C···F4^vi	0.96	2.66	3.535 (4)	151
C15—H15···F2^x	0.93	2.74	3.597 (4)	154

Symmetry codes: (vi) −x+1, −y+1, −z; (vii) −x, −y+1, −z+1; (x) x+1, −y+3/2, z+1/2.

Subscribe to Acta Crystallographica Section E: Crystallographic Communications

Buy online

You may purchase this article in PDF and/or HTML formats. For purchasers in the European Community who do not have a VAT number, VAT will be added at the local rate. Payments to the IUCr are handled by WorldPay, who will accept payment by credit card in several currencies. To purchase the article, please complete the form below (fields marked * are required), and then click on `Continue'.

E-mail address*
Repeat e-mail address* (for error checking)

Format*	PDF (US $40)
	HTML (US $40)
	PDF+HTML (US $50)
In order for VAT to be shown for your country javascript needs to be enabled.

VAT number (non-UK EC countries only)
Country*

Terms and conditions of use
Contact us

Format		BIBTeX
		EndNote
		RefMan
		Refer
		Medline
		CIF
		SGML
		Text
		Plain Text

Format		BIBTeX
		EndNote
		RefMan
		Refer
		Medline
		CIF
		SGML
		Text
		Plain Text

Search IUCr Journals		doi		Advanced search
Author		volume	page